2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide

C27H32ClN3O — CID 24800409

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H32ClN3O/c28-21-17-15-20(16-18-21)26-30-23-13-7-8-14-24(23)31(26)25(19-9-3-1-4-10-19)27(32)29-22-11-5-2-6-12-22/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,32)
InChIKeyDZGNRZLPMHOISU-UHFFFAOYSA-N
MW450.03 g/mol
LogP6.93
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide (PubChem CID 24800409) has the molecular formula C27H32ClN3O and a molecular weight of 450.03 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide
PubChem CID24800409
Molecular FormulaC27H32ClN3O
Molecular Weight450.03 g/mol
Exact Mass449.22
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C27H32ClN3O/c28-21-17-15-20(16-18-21)26-30-23-13-7-8-14-24(23)31(26)25(19-9-3-1-4-10-19)27(32)29-22-11-5-2-6-12-22/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,32)
InChIKeyDZGNRZLPMHOISU-UHFFFAOYSA-N
XLogP6.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.03
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide 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 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide (CID 24800409) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The InChIKey is DZGNRZLPMHOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O/c28-21-17-15-20(16-18-21)26-30-23-13-7-8-14-24(23)31(26)25(19-9-3-1-4-10-19)27(32)29-22-11-5-2-6-12-22/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,32).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide has a molecular weight of 450.03 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide is sourced from PubChem (CID 24800409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).