1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide

C23H27N3O3 — CID 7451501

IUPAC1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc32)cc1
InChIInChI=1S/C23H27N3O3/c1-15-5-3-4-6-19(15)24-22(27)17-9-12-21-20(13-17)25-23(28)26(21)14-16-7-10-18(29-2)11-8-16/h7-13,15,19H,3-6,14H2,1-2H3,(H,24,27)(H,25,28)/t15-,19+/m1/s1
InChIKeyDYKAIVVXFKJHPW-BEFAXECRSA-N
MW393.49 g/mol
LogP3.69
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 7451501) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID7451501
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc32)cc1
InChIInChI=1S/C23H27N3O3/c1-15-5-3-4-6-19(15)24-22(27)17-9-12-21-20(13-17)25-23(28)26(21)14-16-7-10-18(29-2)11-8-16/h7-13,15,19H,3-6,14H2,1-2H3,(H,24,27)(H,25,28)/t15-,19+/m1/s1
InChIKeyDYKAIVVXFKJHPW-BEFAXECRSA-N
XLogP3.69
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451504
1-ethyl-N-[(1R,2S)-2-methylcyclohexyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40842866
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 93155352
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 42983606
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 7451501) is 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide is COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is DYKAIVVXFKJHPW-BEFAXECRSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-5-3-4-6-19(15)24-22(27)17-9-12-21-20(13-17)25-23(28)26(21)14-16-7-10-18(29-2)11-8-16/h7-13,15,19H,3-6,14H2,1-2H3,(H,24,27)(H,25,28)/t15-,19+/m1/s1.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 7451501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).