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

C20H22N4O — CID 11359566

IUPAC2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESNc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C20H22N4O/c21-15-9-6-13(7-10-15)19-23-17-11-8-14(12-18(17)24-19)20(25)22-16-4-2-1-3-5-16/h6-12,16H,1-5,21H2,(H,22,25)(H,23,24)
InChIKeyPGABHKIAGNDIJT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.87
Rot. Bonds3

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

2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide (PubChem CID 11359566) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
PubChem CID11359566
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESNc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C20H22N4O/c21-15-9-6-13(7-10-15)19-23-17-11-8-14(12-18(17)24-19)20(25)22-16-4-2-1-3-5-16/h6-12,16H,1-5,21H2,(H,22,25)(H,23,24)
InChIKeyPGABHKIAGNDIJT-UHFFFAOYSA-N
XLogP3.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169327
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-[4-(4H-azepine-7-carbonylamino)phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 142169309
N-[4-[6-(cyclopentylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20740131
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740126
N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 71169804

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide (CID 11359566) is 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide is Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The InChIKey is PGABHKIAGNDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-15-9-6-13(7-10-15)19-23-17-11-8-14(12-18(17)24-19)20(25)22-16-4-2-1-3-5-16/h6-12,16H,1-5,21H2,(H,22,25)(H,23,24).
What are the key properties of 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11359566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).