2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole

C23H28ClN3 — CID 18885630

IUPAC2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESClc1cccc(Cn2c(CCCN3CCCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H28ClN3/c24-20-10-7-9-19(17-20)18-27-22-12-4-3-11-21(22)25-23(27)13-8-16-26-14-5-1-2-6-15-26/h3-4,7,9-12,17H,1-2,5-6,8,13-16,18H2
InChIKeyZHAXNFPQIOIJIC-UHFFFAOYSA-N
MW381.95 g/mol
LogP5.55
Rot. Bonds6

About 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole

2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole (PubChem CID 18885630) has the molecular formula C23H28ClN3 and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
PubChem CID18885630
Molecular FormulaC23H28ClN3
Molecular Weight381.95 g/mol
Exact Mass381.20
IUPAC Name2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
SMILESClc1cccc(Cn2c(CCCN3CCCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H28ClN3/c24-20-10-7-9-19(17-20)18-27-22-12-4-3-11-21(22)25-23(27)13-8-16-26-14-5-1-2-6-15-26/h3-4,7,9-12,17H,1-2,5-6,8,13-16,18H2
InChIKeyZHAXNFPQIOIJIC-UHFFFAOYSA-N
XLogP5.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
2-[3-(azepan-1-yl)propyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 18885639
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
2-[3-(azepan-1-yl)propyl]-1-[4-(2-chlorophenoxy)butyl]benzimidazole
CID 18885679
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole (CID 18885630) is 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole is Clc1cccc(Cn2c(CCCN3CCCCCC3)nc3ccccc32)c1.
What is the InChIKey of 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
The InChIKey is ZHAXNFPQIOIJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3/c24-20-10-7-9-19(17-20)18-27-22-12-4-3-11-21(22)25-23(27)13-8-16-26-14-5-1-2-6-15-26/h3-4,7,9-12,17H,1-2,5-6,8,13-16,18H2.
What are the key properties of 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole?
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole has a molecular weight of 381.95 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 18885630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).