2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide

C28H27ClN4O2 — CID 20739912

IUPAC2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H27ClN4O2/c1-17-4-2-3-5-23(17)33-28(35)20-10-15-24-25(16-20)32-26(31-24)18-6-8-19(9-7-18)27(34)30-22-13-11-21(29)12-14-22/h6-17,23H,2-5H2,1H3,(H,30,34)(H,31,32)(H,33,35)
InChIKeyVPHSIFRMOUYGNZ-UHFFFAOYSA-N
MW487.00 g/mol
LogP6.44
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide

2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide (PubChem CID 20739912) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
PubChem CID20739912
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H27ClN4O2/c1-17-4-2-3-5-23(17)33-28(35)20-10-15-24-25(16-20)32-26(31-24)18-6-8-19(9-7-18)27(34)30-22-13-11-21(29)12-14-22/h6-17,23H,2-5H2,1H3,(H,30,34)(H,31,32)(H,33,35)
InChIKeyVPHSIFRMOUYGNZ-UHFFFAOYSA-N
XLogP6.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide 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-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide (CID 20739912) is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide is CC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is VPHSIFRMOUYGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-17-4-2-3-5-23(17)33-28(35)20-10-15-24-25(16-20)32-26(31-24)18-6-8-19(9-7-18)27(34)30-22-13-11-21(29)12-14-22/h6-17,23H,2-5H2,1H3,(H,30,34)(H,31,32)(H,33,35).
What are the key properties of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 6.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20739912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).