4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide

C28H28N4O2 — CID 20740000

IUPAC4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)CC1
InChIInChI=1S/C28H28N4O2/c1-18-7-13-22(14-8-18)29-28(34)21-11-9-19(10-12-21)26-31-24-16-15-23(17-25(24)32-26)30-27(33)20-5-3-2-4-6-20/h2-6,9-12,15-18,22H,7-8,13-14H2,1H3,(H,29,34)(H,30,33)(H,31,32)
InChIKeyMCRQEMIGWNCFJM-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.79
Rot. Bonds5

About 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide

4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide (PubChem CID 20740000) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
PubChem CID20740000
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)CC1
InChIInChI=1S/C28H28N4O2/c1-18-7-13-22(14-8-18)29-28(34)21-11-9-19(10-12-21)26-31-24-16-15-23(17-25(24)32-26)30-27(33)20-5-3-2-4-6-20/h2-6,9-12,15-18,22H,7-8,13-14H2,1H3,(H,29,34)(H,30,33)(H,31,32)
InChIKeyMCRQEMIGWNCFJM-UHFFFAOYSA-N
XLogP5.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide 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

N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
4-[6-[(2-ethylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 71172829
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694983

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide (CID 20740000) is 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)CC1.
What is the InChIKey of 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide?
The InChIKey is MCRQEMIGWNCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-18-7-13-22(14-8-18)29-28(34)21-11-9-19(10-12-21)26-31-24-16-15-23(17-25(24)32-26)30-27(33)20-5-3-2-4-6-20/h2-6,9-12,15-18,22H,7-8,13-14H2,1H3,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide?
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide has a molecular weight of 452.56 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 20740000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).