1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine

C21H25ClN4 — CID 15037387

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
SMILESCN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4/c1-25-13-4-5-18(12-14-25)23-21-24-19-6-2-3-7-20(19)26(21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,24)
InChIKeyWGXDNPZBUVOMIS-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.63
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine

1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine (PubChem CID 15037387) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
PubChem CID15037387
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
SMILESCN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4/c1-25-13-4-5-18(12-14-25)23-21-24-19-6-2-3-7-20(19)26(21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,24)
InChIKeyWGXDNPZBUVOMIS-UHFFFAOYSA-N
XLogP4.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine 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-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine (CID 15037387) is 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine is CN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
The InChIKey is WGXDNPZBUVOMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-25-13-4-5-18(12-14-25)23-21-24-19-6-2-3-7-20(19)26(21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine has a molecular weight of 368.91 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 15037387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).