4,5-Diphenylimidazole - ≥98% , CAS No.668-94-0

CAS: 668-94-0 Cat. No.: D111091 Molecular Weight: 220.27 Beilstein Registry Number: 23(3/4)1812 EC Number: 211-573-3
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SCHEMBL16503669 | 1H-Imidazole,5-diphenyl- | 4,5-diphenyl imidazole | 4,5-Diphenyl-1H-imidazole # | Tox21_110979_1 | D2107 | DTXCID3025700 | AC-907/25014326 | 4,5-Diphenylimidazole, 98% | A835576 | FT-0617216 | US9144538, 4,5-diphenylimidazole | InChI=1/C
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D111091-1g
1

$12.90

$19.90
Save $7.00 (35.18%)
5g
D111091-5g
4

$35.90

$53.90
Save $18.00 (33.40%)
25g
D111091-25g
1

$85.90

$128.90
Save $43.00 (33.36%)
100g
D111091-100g
1

$277.90

$416.90
Save $139.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
SCHEMBL16503669 | 1H-Imidazole, 5-diphenyl- | 4, 5-diphenyl imidazole | 4, 5-Diphenyl-1H-imidazole # | Tox21_110979_1 | D2107 | DTXCID3025700 | AC-907/25014326 | 4, 5-Diphenylimidazole, 98% | A835576 | FT-0617216 | US9144538, 4, 5-diphenylimidazole | InChI=1/C
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504754413
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754413
Canonical SmilesC1=CC=C(C=C1)C2=C(N=CN2)C3=CC=CC=C3
IUPAC Name4,5-diphenyl-1H-imidazole
InChIKeyCPHGOBGXZQKCKI-UHFFFAOYSA-N
INCHI1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
Isomeric SMILES C1=CC=C(C=C1)C2=C(N=CN2)C3=CC=CC=C3
WGK Germany 3
Molecular Weight 220.27
Beilstein 23(3/4)1812
Reaxy-Rn 157587
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=157587&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
Alternative Parents Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4-phenylimidazole - 5-phenylimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeDateItem
E1404041Certificate of AnalysisNov 10, 2025 D111091
J2129433Certificate of AnalysisAug 11, 2025 D111091
J2516349Certificate of AnalysisJul 03, 2024 D111091
J2516643Certificate of AnalysisJul 03, 2024 D111091
C2401202Certificate of AnalysisJan 23, 2024 D111091
C2401203Certificate of AnalysisJan 23, 2024 D111091
C2401204Certificate of AnalysisJan 23, 2024 D111091
C2401205Certificate of AnalysisJan 23, 2024 D111091
C2401206Certificate of AnalysisJan 23, 2024 D111091
L2412413Certificate of AnalysisJan 23, 2024 D111091
F23161027Certificate of AnalysisApr 27, 2021 D111091
K2208099Certificate of AnalysisApr 27, 2021 D111091

Show more ⌵

Chemical and Physical Properties
SolubilitySoluble in methanol.
Melt Point(°C)230°C
Molecular Weight220.270 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass220.1 Da
Monoisotopic Mass220.1 Da
Topological Polar Surface Area28.700 Ų
Heavy Atom Count17
Formal Charge0
Complexity229.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Mingming Xu, Zhijun Zhou, Lin Hao, Zhi Li, Jie Li, Qianqian Wang, Weihua Liu, Chun Wang, Zhi Wang, Qiuhua Wu.  (2022)  Phenyl-imidazole based and nitrogen rich hyper-crosslinked polymer for sensitive determination of aflatoxins.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2022.134847]
2. Yafei Sang, Zhe Shu, You Wang, Lizhi Wang, Du Zhang, Qin Xiao, Fa Zhou, Jianhan Huang.  (2022)  Bifunctional ionic hyper-cross-linked polymers for CO2 capture and catalytic conversion.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.152663]
3. Hong Yang, Ming Xu, Ling-Xiang Guo, Hao-Fan Ji, Jun-Yu Wang, Bao-Ping Lin, Xue-Qin Zhang, Ying Sun.  (2014)  Organocatalysis in polysiloxane gels: a magnetic-stir-bar encapsulated catalyst system prepared by thiol–ene photo-click immobilization.  RSC Advances,  (10): (7304-7310).  [PMID:] [10.1039/C4RA16351F]
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.