N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide

C27H34N4O — CID 50997190

IUPACN-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-n2c(N3CCC(C(=O)NC4CCCC4)CC3)nc3cc(C)c(C)cc32)c1
InChIInChI=1S/C27H34N4O/c1-18-7-6-10-23(15-18)31-25-17-20(3)19(2)16-24(25)29-27(31)30-13-11-21(12-14-30)26(32)28-22-8-4-5-9-22/h6-7,10,15-17,21-22H,4-5,8-9,11-14H2,1-3H3,(H,28,32)
InChIKeyBBYHZPBDYLPPIN-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.23
Rot. Bonds4

About N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide

N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide (PubChem CID 50997190) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide
PubChem CID50997190
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-n2c(N3CCC(C(=O)NC4CCCC4)CC3)nc3cc(C)c(C)cc32)c1
InChIInChI=1S/C27H34N4O/c1-18-7-6-10-23(15-18)31-25-17-20(3)19(2)16-24(25)29-27(31)30-13-11-21(12-14-30)26(32)28-22-8-4-5-9-22/h6-7,10,15-17,21-22H,4-5,8-9,11-14H2,1-3H3,(H,28,32)
InChIKeyBBYHZPBDYLPPIN-UHFFFAOYSA-N
XLogP5.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67033945
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
1-[1-(4-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67036215
1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50996120
1-[1-(4-fluoro-3-methylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 50997736
N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50995217
1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50995772
1-[1-(4-chloro-3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 77493598
1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67036247
1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67034050
1-[1-(cyclobutadienyl)-5,6-dimethylbenzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67034114
1-[5,6-dichloro-1-(3-ethoxyphenyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67033743

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide (CID 50997190) is N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide is Cc1cccc(-n2c(N3CCC(C(=O)NC4CCCC4)CC3)nc3cc(C)c(C)cc32)c1.
What is the InChIKey of N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The InChIKey is BBYHZPBDYLPPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-18-7-6-10-23(15-18)31-25-17-20(3)19(2)16-24(25)29-27(31)30-13-11-21(12-14-30)26(32)28-22-8-4-5-9-22/h6-7,10,15-17,21-22H,4-5,8-9,11-14H2,1-3H3,(H,28,32).
What are the key properties of N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide?
N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50997190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).