2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol , CAS No.893772-64-0

CAS: 893772-64-0 Cat. No.: P668633 Molecular Weight: 307.4
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Synonyms
2-Phenyl-7-(piperidin-1-ylmethyl)-1H-benzo[d]imidazol-6-ol | CBMicro_038074 | Oprea1_453860 | 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol | BDBM50379670 | STK689149 | AKOS005601388 | PD119709 | 2-phenyl-4-(piperidinomethyl)-1H-1,3-benzimidazol-
Storage
Room temperature
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Size
Status
Price
Qty
1mg
P668633-1mg
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$571.90

$999.90
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5mg
P668633-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-Phenyl-7-(piperidin-1-ylmethyl)-1H-benzo[d]imidazol-6-ol | CBMicro_038074 | Oprea1_453860 | 2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol | BDBM50379670 | STK689149 | AKOS005601388 | PD119709 | 2-phenyl-4-(piperidinomethyl)-1H-1, 3-benzimidazol-
Storage
Room temperature
Product Properties
ALogP3.5
Names and Identifiers
Canonical SmilesC1CCN(CC1)CC2=C(C=CC3=C2N=C(N3)C4=CC=CC=C4)O
IUPAC Name2-phenyl-4-(piperidin-1-ylmethyl)-1H-benzimidazol-5-ol
InChIKeyFVHKIGHCUWTXCC-UHFFFAOYSA-N
INCHI1S/C19H21N3O/c23-17-10-9-16-18(15(17)13-22-11-5-2-6-12-22)21-19(20-16)14-7-3-1-4-8-14/h1,3-4,7-10,23H,2,5-6,11-13H2,(H,20,21)
Isomeric SMILES C1CCN(CC1)CC2=C(C=CC3=C2N=C(N3)C4=CC=CC=C4)O
Molecular Weight 307.4
Reaxy-Rn 22425707
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22425707&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzimidazoles
SubclassPhenylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzimidazoles
Alternative Parents Phenylimidazoles  Aralkylamines  1-hydroxy-2-unsubstituted benzenoids  Piperidines  Benzene and substituted derivatives  Heteroaromatic compounds  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylbenzimidazole - 2-phenylimidazole - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GRIN2B Tclin Glutamate receptor ionotropic, NMDA 2B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GRIN2B Tclin Glutamate [NMDA] receptor subunit epsilon 2 (467 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN1 Tclin Glutamate NMDA receptor; GRIN1/GRIN2B (726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 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:
Chemical and Physical Properties
Molecular Weight307.400 g/mol
XLogP33.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass307.168 Da
Monoisotopic Mass307.168 Da
Topological Polar Surface Area52.200 Ų
Heavy Atom Count23
Formal Charge0
Complexity379.000
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
Solution Calculators
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