benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate

C30H31N3O5 — CID 150634061

IUPACbenzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate
SMILESCOc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(C(=O)OCc5ccccc5)cccc43)CC2)ccc1C
InChIInChI=1S/C30H31N3O5/c1-19-11-14-22(17-26(19)37-2)31-28(34)21-12-15-23(16-13-21)33-25-10-6-9-24(27(25)32-30(33)36)29(35)38-18-20-7-4-3-5-8-20/h3-11,14,17,21,23H,12-13,15-16,18H2,1-2H3,(H,31,34)(H,32,36)
InChIKeyIYMWQWAEZMZWBO-UHFFFAOYSA-N
MW513.59 g/mol
LogP5.37
Rot. Bonds7

About benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate

benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate (PubChem CID 150634061) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate
PubChem CID150634061
Molecular FormulaC30H31N3O5
Molecular Weight513.59 g/mol
Exact Mass513.23
IUPAC Namebenzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate
SMILESCOc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(C(=O)OCc5ccccc5)cccc43)CC2)ccc1C
InChIInChI=1S/C30H31N3O5/c1-19-11-14-22(17-26(19)37-2)31-28(34)21-12-15-23(16-13-21)33-25-10-6-9-24(27(25)32-30(33)36)29(35)38-18-20-7-4-3-5-8-20/h3-11,14,17,21,23H,12-13,15-16,18H2,1-2H3,(H,31,34)(H,32,36)
InChIKeyIYMWQWAEZMZWBO-UHFFFAOYSA-N
XLogP5.37
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate 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-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-oxo-3H-benzimidazol-1-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 155679470
N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide
CID 153337751
N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 151661173
4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 147015751
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide
CID 153337742
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-hydroxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 153337782
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
CID 151686592
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
2-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoic acid
CID 69315923

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate?
The IUPAC name of benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate (CID 150634061) is benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate.
What is the SMILES notation for benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate?
The canonical SMILES for benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate is COc1cc(NC(=O)C2CCC(n3c(=O)[nH]c4c(C(=O)OCc5ccccc5)cccc43)CC2)ccc1C.
What is the InChIKey of benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate?
The InChIKey is IYMWQWAEZMZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-19-11-14-22(17-26(19)37-2)31-28(34)21-12-15-23(16-13-21)33-25-10-6-9-24(27(25)32-30(33)36)29(35)38-18-20-7-4-3-5-8-20/h3-11,14,17,21,23H,12-13,15-16,18H2,1-2H3,(H,31,34)(H,32,36).
What are the key properties of benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate?
benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate has a molecular weight of 513.59 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate is sourced from PubChem (CID 150634061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).