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

C28H34N4O2 — CID 20739970

IUPAC2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C28H34N4O2/c1-18-7-5-6-10-23(18)32-28(34)21-15-16-24-25(17-21)31-26(30-24)19-11-13-20(14-12-19)27(33)29-22-8-3-2-4-9-22/h11-18,22-23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34)
InChIKeyROTCINVJRJKGKH-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.60
Rot. Bonds5

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

2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide (PubChem CID 20739970) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
PubChem CID20739970
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C28H34N4O2/c1-18-7-5-6-10-23(18)32-28(34)21-15-16-24-25(17-21)31-26(30-24)19-11-13-20(14-12-19)27(33)29-22-8-3-2-4-9-22/h11-18,22-23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34)
InChIKeyROTCINVJRJKGKH-UHFFFAOYSA-N
XLogP5.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169327
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20740131
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide (CID 20739970) is 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide is CC1CCCCC1NC(=O)c1ccc2nc(-c3ccc(C(=O)NC4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ROTCINVJRJKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-18-7-5-6-10-23(18)32-28(34)21-15-16-24-25(17-21)31-26(30-24)19-11-13-20(14-12-19)27(33)29-22-8-3-2-4-9-22/h11-18,22-23H,2-10H2,1H3,(H,29,33)(H,30,31)(H,32,34).
What are the key properties of 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide?
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20739970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).