1-benzyl-2-(4-chlorophenyl)benzimidazole

C20H15ClN2 — CID 4553450

IUPAC1-benzyl-2-(4-chlorophenyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C20H15ClN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyXQVAAXWMDWEOJR-UHFFFAOYSA-N
MW318.81 g/mol
LogP5.41
Rot. Bonds3

About 1-benzyl-2-(4-chlorophenyl)benzimidazole

1-benzyl-2-(4-chlorophenyl)benzimidazole (PubChem CID 4553450) has the molecular formula C20H15ClN2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-benzyl-2-(4-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-chlorophenyl)benzimidazole
PubChem CID4553450
Molecular FormulaC20H15ClN2
Molecular Weight318.81 g/mol
Exact Mass318.09
IUPAC Name1-benzyl-2-(4-chlorophenyl)benzimidazole
SMILESClc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C20H15ClN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyXQVAAXWMDWEOJR-UHFFFAOYSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.81
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-2-(4-chlorophenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-chlorophenyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(4-chlorophenyl)benzimidazole (CID 4553450) is 1-benzyl-2-(4-chlorophenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(4-chlorophenyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(4-chlorophenyl)benzimidazole is Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-chlorophenyl)benzimidazole?
The InChIKey is XQVAAXWMDWEOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 1-benzyl-2-(4-chlorophenyl)benzimidazole?
1-benzyl-2-(4-chlorophenyl)benzimidazole has a molecular weight of 318.81 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-chlorophenyl)benzimidazole is sourced from PubChem (CID 4553450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).