1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide

C27H33ClN4O — CID 50996120

IUPAC1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C27H33ClN4O/c1-18-15-24-25(16-19(18)2)32(17-20-7-9-22(28)10-8-20)27(30-24)31-13-11-21(12-14-31)26(33)29-23-5-3-4-6-23/h7-10,15-16,21,23H,3-6,11-14,17H2,1-2H3,(H,29,33)
InChIKeyQDZCHYSCZZEYKY-UHFFFAOYSA-N
MW465.04 g/mol
LogP5.63
Rot. Bonds5

About 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide

1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 50996120) has the molecular formula C27H33ClN4O and a molecular weight of 465.04 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID50996120
Molecular FormulaC27H33ClN4O
Molecular Weight465.04 g/mol
Exact Mass464.23
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C27H33ClN4O/c1-18-15-24-25(16-19(18)2)32(17-20-7-9-22(28)10-8-20)27(30-24)31-13-11-21(12-14-31)26(33)29-23-5-3-4-6-23/h7-10,15-16,21,23H,3-6,11-14,17H2,1-2H3,(H,29,33)
InChIKeyQDZCHYSCZZEYKY-UHFFFAOYSA-N
XLogP5.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
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-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 67034729
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172275
1-[1-(4-chloro-3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 77493598
1-[1-(4-fluoro-3-methylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 50997736
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide (CID 50996120) is 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide is Cc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccc(Cl)cc3)c2cc1C.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is QDZCHYSCZZEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O/c1-18-15-24-25(16-19(18)2)32(17-20-7-9-22(28)10-8-20)27(30-24)31-13-11-21(12-14-31)26(33)29-23-5-3-4-6-23/h7-10,15-16,21,23H,3-6,11-14,17H2,1-2H3,(H,29,33).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 465.04 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 50996120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).