1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide

C27H34N4O — CID 50996652

IUPAC1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccccc3)c2cc1C
InChIInChI=1S/C27H34N4O/c1-19-16-24-25(17-20(19)2)31(18-21-8-4-3-5-9-21)27(29-24)30-14-12-22(13-15-30)26(32)28-23-10-6-7-11-23/h3-5,8-9,16-17,22-23H,6-7,10-15,18H2,1-2H3,(H,28,32)
InChIKeyHQKLKEVINALHRS-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.98
Rot. Bonds5

About 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide

1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 50996652) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
PubChem CID50996652
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccccc3)c2cc1C
InChIInChI=1S/C27H34N4O/c1-19-16-24-25(17-20(19)2)31(18-21-8-4-3-5-9-21)27(29-24)30-14-12-22(13-15-30)26(32)28-23-10-6-7-11-23/h3-5,8-9,16-17,22-23H,6-7,10-15,18H2,1-2H3,(H,28,32)
InChIKeyHQKLKEVINALHRS-UHFFFAOYSA-N
XLogP4.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-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

1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50996120
1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50995772
N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50995217
1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50995219
N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 50997190
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
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-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716142
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
CID 53202291

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide (CID 50996652) is 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide is Cc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccccc3)c2cc1C.
What is the InChIKey of 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is HQKLKEVINALHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-19-16-24-25(17-20(19)2)31(18-21-8-4-3-5-9-21)27(29-24)30-14-12-22(13-15-30)26(32)28-23-10-6-7-11-23/h3-5,8-9,16-17,22-23H,6-7,10-15,18H2,1-2H3,(H,28,32).
What are the key properties of 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 50996652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).