2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide

C27H26N4O2 — CID 10274855

IUPAC2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C27H26N4O2/c32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyBZKKAIQVIYKWDL-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.54
Rot. Bonds5

About 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide

2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide (PubChem CID 10274855) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
PubChem CID10274855
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C27H26N4O2/c32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyBZKKAIQVIYKWDL-UHFFFAOYSA-N
XLogP5.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
2-[4-(4H-azepine-7-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 142169309
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-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 71169804
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide (CID 10274855) is 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The InChIKey is BZKKAIQVIYKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10274855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).