4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide

C21H21BrClN3O2 — CID 151686592

IUPAC4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)ccc1Cl
InChIInChI=1S/C21H21BrClN3O2/c1-12-11-14(7-10-17(12)23)24-20(27)13-5-8-15(9-6-13)26-18-4-2-3-16(22)19(18)25-21(26)28/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3,(H,24,27)(H,25,28)
InChIKeyRBRCTKGSVZYTCP-UHFFFAOYSA-N
MW462.78 g/mol
LogP5.42
Rot. Bonds3

About 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide

4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 151686592) has the molecular formula C21H21BrClN3O2 and a molecular weight of 462.78 g/mol. Its IUPAC name is 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
PubChem CID151686592
Molecular FormulaC21H21BrClN3O2
Molecular Weight462.78 g/mol
Exact Mass461.05
IUPAC Name4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)ccc1Cl
InChIInChI=1S/C21H21BrClN3O2/c1-12-11-14(7-10-17(12)23)24-20(27)13-5-8-15(9-6-13)26-18-4-2-3-16(22)19(18)25-21(26)28/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3,(H,24,27)(H,25,28)
InChIKeyRBRCTKGSVZYTCP-UHFFFAOYSA-N
XLogP5.42
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-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

4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-hydroxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 153337782
N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 151661173
N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide
CID 153337751
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
4-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-oxo-3H-benzimidazol-1-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 155679470
N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide
CID 153337742
benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate
CID 150634061
4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 147015751
N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide
CID 147754001
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3-chloro-4-methylphenyl)-4-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxamide
CID 98278609
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide (CID 151686592) is 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(Br)cccc43)CC2)ccc1Cl.
What is the InChIKey of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is RBRCTKGSVZYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN3O2/c1-12-11-14(7-10-17(12)23)24-20(27)13-5-8-15(9-6-13)26-18-4-2-3-16(22)19(18)25-21(26)28/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide?
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 462.78 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 151686592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).