[3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine

C21H18ClN3 — CID 11551987

IUPAC[3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine
SMILESNCc1c(-c2ccccc2Cl)ccc2ncn(Cc3ccccc3)c12
InChIInChI=1S/C21H18ClN3/c22-19-9-5-4-8-17(19)16-10-11-20-21(18(16)12-23)25(14-24-20)13-15-6-2-1-3-7-15/h1-11,14H,12-13,23H2
InChIKeyJDTCXMVWZXNFGZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.86
Rot. Bonds4

About [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine

[3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine (PubChem CID 11551987) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine
PubChem CID11551987
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC Name[3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine
SMILESNCc1c(-c2ccccc2Cl)ccc2ncn(Cc3ccccc3)c12
InChIInChI=1S/C21H18ClN3/c22-19-9-5-4-8-17(19)16-10-11-20-21(18(16)12-23)25(14-24-20)13-15-6-2-1-3-7-15/h1-11,14H,12-13,23H2
InChIKeyJDTCXMVWZXNFGZ-UHFFFAOYSA-N
XLogP4.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine 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 [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine?
The IUPAC name of [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine (CID 11551987) is [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine.
What is the SMILES notation for [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine?
The canonical SMILES for [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine is NCc1c(-c2ccccc2Cl)ccc2ncn(Cc3ccccc3)c12.
What is the InChIKey of [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine?
The InChIKey is JDTCXMVWZXNFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3/c22-19-9-5-4-8-17(19)16-10-11-20-21(18(16)12-23)25(14-24-20)13-15-6-2-1-3-7-15/h1-11,14H,12-13,23H2.
What are the key properties of [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine?
[3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine has a molecular weight of 347.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-5-(2-chlorophenyl)benzimidazol-4-yl]methanamine is sourced from PubChem (CID 11551987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).