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

C20H20N4O3 — CID 11451364

IUPACN-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1
InChIInChI=1S/C20H20N4O3/c25-20(21-15-4-2-1-3-5-15)14-8-11-17-18(12-14)23-19(22-17)13-6-9-16(10-7-13)24(26)27/h6-12,15H,1-5H2,(H,21,25)(H,22,23)
InChIKeyRZKVFWWTJDMOIA-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.20
Rot. Bonds4

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

N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 11451364) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID11451364
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1
InChIInChI=1S/C20H20N4O3/c25-20(21-15-4-2-1-3-5-15)14-8-11-17-18(12-14)23-19(22-17)13-6-9-16(10-7-13)24(26)27/h6-12,15H,1-5H2,(H,21,25)(H,22,23)
InChIKeyRZKVFWWTJDMOIA-UHFFFAOYSA-N
XLogP4.20
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclohexyl-2-(4-nitrophenyl)-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

Related Compounds

2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
2-(4-nitrophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902909
2-(4-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 10612945
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-cyclohexyl-2-[4-[(2-ethenylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169327
N-cyclododecyl-4-nitrobenzamide
CID 19168070
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-nitrobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 162250097
4-nitro-N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]benzamide
CID 3113823

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide (CID 11451364) is N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide is O=C(NC1CCCCC1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1.
What is the InChIKey of N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is RZKVFWWTJDMOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(21-15-4-2-1-3-5-15)14-8-11-17-18(12-14)23-19(22-17)13-6-9-16(10-7-13)24(26)27/h6-12,15H,1-5H2,(H,21,25)(H,22,23).
What are the key properties of N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide?
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11451364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).