N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide

C27H42N4O — CID 50995217

IUPACN-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCCCCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(C)c(C)cc21
InChIInChI=1S/C27H42N4O/c1-4-5-6-7-10-15-31-25-19-21(3)20(2)18-24(25)29-27(31)30-16-13-22(14-17-30)26(32)28-23-11-8-9-12-23/h18-19,22-23H,4-17H2,1-3H3,(H,28,32)
InChIKeyLHBXMUPBMHXCOD-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.90
Rot. Bonds9

About N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide

N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 50995217) has the molecular formula C27H42N4O and a molecular weight of 438.66 g/mol. Its IUPAC name is N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID50995217
Molecular FormulaC27H42N4O
Molecular Weight438.66 g/mol
Exact Mass438.34
IUPAC NameN-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCCCCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(C)c(C)cc21
InChIInChI=1S/C27H42N4O/c1-4-5-6-7-10-15-31-25-19-21(3)20(2)18-24(25)29-27(31)30-16-13-22(14-17-30)26(32)28-23-11-8-9-12-23/h18-19,22-23H,4-17H2,1-3H3,(H,28,32)
InChIKeyLHBXMUPBMHXCOD-UHFFFAOYSA-N
XLogP5.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50995219
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
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-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50996832
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-[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-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 67034729
1-[1-(4-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67036215
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 50995217) is N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide is CCCCCCCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(C)c(C)cc21.
What is the InChIKey of N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LHBXMUPBMHXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O/c1-4-5-6-7-10-15-31-25-19-21(3)20(2)18-24(25)29-27(31)30-16-13-22(14-17-30)26(32)28-23-11-8-9-12-23/h18-19,22-23H,4-17H2,1-3H3,(H,28,32).
What are the key properties of N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 438.66 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50995217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).