1,4-Di(1H-imidazol-1-yl)benzene - ≥98% , CAS No.25372-07-0

CAS: 25372-07-0 Cat. No.: D404338 Molecular Weight: 210.24

GRADE & PURITY ≥98%

Synonyms

1H-Imidazole, 1,1'-(1,4-phenylene)bis- | AKOS040767953 | 1-[4-(1H-imidazol-1-yl)phenyl]-1H-imidazole | BS-45586 | 1,1'-(1,4-Phenylene)bis-1H-imidazole | 1,4-bis(imidazol-1-yl)benzene | SCHEMBL2532397 | E85564 | 1-(4-imidazol-1-ylphenyl)imidazole | 1,4-Di(

Storage

Argon charged,Room temperature

Specifications

Synonyms

1H-Imidazole, 1, 1'-(1, 4-phenylene)bis- | AKOS040767953 | 1-[4-(1H-imidazol-1-yl)phenyl]-1H-imidazole | BS-45586 | 1, 1'-(1, 4-Phenylene)bis-1H-imidazole | 1, 4-bis(imidazol-1-yl)benzene | SCHEMBL2532397 | E85564 | 1-(4-imidazol-1-ylphenyl)imidazole | 1, 4-Di(

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188514
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188514
• Canonical Smiles: C1=CC(=CC=C1N2C=CN=C2)N3C=CN=C3
• IUPAC Name: 1-(4-imidazol-1-ylphenyl)imidazole
• InChIKey: JWPDUQLIPMJLOF-UHFFFAOYSA-N
• INCHI: 1S/C12H10N4/c1-2-12(16-8-6-14-10-16)4-3-11(1)15-7-5-13-9-15/h1-10H
• Isomeric SMILES: C1=CC(=CC=C1N2C=CN=C2)N3C=CN=C3
• Molecular Weight: 210.24
• Reaxy-Rn: 523178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=523178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylimidazole - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 218 °C
• Molecular Weight: 210.230 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.091 Da
• Monoisotopic Mass: 210.091 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 201.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Liang Qin, Fenglan Liang, Yan Li, Jiana Wu, Shiyuan Guan, Meiyin Wu, Shiling Xie, Manshi Luo, Deyun Ma.  (2022)  A 2D Porous Zinc-Organic Framework Platform for Loading of 5-Fluorouracil.  Inorganics,  10  (11): (202).  [PMID:] [10.3390/inorganics10110202]

2. Jiaqing Huang, Xiaoyong Xia, Jiajia Li, Liang Liu, Chunyue Xu, Jinkai Qiu, Cheng Lian, Qingfeng Xu, Jianmei Lu.  (2025)  A triazine-tri-imidazole based cationic covalent organic polymer featuring high recyclability and radiation tolerance for efficient Re(Tc)O4- sequestration.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40701098] [10.1016/j.jhazmat.2025.139318]