1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide

C29H38N4O — CID 92716142

IUPAC1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(Cn2c(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)nc3ccccc32)c1
InChIInChI=1S/C29H38N4O/c1-20-12-13-21(2)24(18-20)19-33-27-11-7-6-10-26(27)31-29(33)32-16-14-23(15-17-32)28(34)30-25-9-5-4-8-22(25)3/h6-7,10-13,18,22-23,25H,4-5,8-9,14-17,19H2,1-3H3,(H,30,34)/t22-,25+/m0/s1
InChIKeyGKWJZNJVZSTZQD-WIOPSUGQSA-N
MW458.65 g/mol
LogP5.61
Rot. Bonds5

About 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 92716142) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID92716142
Molecular FormulaC29H38N4O
Molecular Weight458.65 g/mol
Exact Mass458.30
IUPAC Name1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(Cn2c(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)nc3ccccc32)c1
InChIInChI=1S/C29H38N4O/c1-20-12-13-21(2)24(18-20)19-33-27-11-7-6-10-26(27)31-29(33)32-16-14-23(15-17-32)28(34)30-25-9-5-4-8-22(25)3/h6-7,10-13,18,22-23,25H,4-5,8-9,14-17,19H2,1-3H3,(H,30,34)/t22-,25+/m0/s1
InChIKeyGKWJZNJVZSTZQD-WIOPSUGQSA-N
XLogP5.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 20883026
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 20886929
N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20883034
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 20883058
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
ethyl (3R)-1-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92716355
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
CID 20886895
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (CID 92716142) is 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is Cc1ccc(C)c(Cn2c(N3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)nc3ccccc32)c1.
What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is GKWJZNJVZSTZQD-WIOPSUGQSA-N. The full InChI is InChI=1S/C29H38N4O/c1-20-12-13-21(2)24(18-20)19-33-27-11-7-6-10-26(27)31-29(33)32-16-14-23(15-17-32)28(34)30-25-9-5-4-8-22(25)3/h6-7,10-13,18,22-23,25H,4-5,8-9,14-17,19H2,1-3H3,(H,30,34)/t22-,25+/m0/s1.
What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 92716142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).