1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide

C24H35ClN4O — CID 50995219

IUPAC1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESCCCCCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(C)c(Cl)cc21
InChIInChI=1S/C24H35ClN4O/c1-3-4-7-12-29-22-16-20(25)17(2)15-21(22)27-24(29)28-13-10-18(11-14-28)23(30)26-19-8-5-6-9-19/h15-16,18-19H,3-14H2,1-2H3,(H,26,30)
InChIKeyQRKTXBPABBCUEI-UHFFFAOYSA-N
MW431.02 g/mol
LogP5.46
Rot. Bonds7

About 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide

1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 50995219) has the molecular formula C24H35ClN4O and a molecular weight of 431.02 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
PubChem CID50995219
Molecular FormulaC24H35ClN4O
Molecular Weight431.02 g/mol
Exact Mass430.25
IUPAC Name1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
SMILESCCCCCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(C)c(Cl)cc21
InChIInChI=1S/C24H35ClN4O/c1-3-4-7-12-29-22-16-20(25)17(2)15-21(22)27-24(29)28-13-10-18(11-14-28)23(30)26-19-8-5-6-9-19/h15-16,18-19H,3-14H2,1-2H3,(H,26,30)
InChIKeyQRKTXBPABBCUEI-UHFFFAOYSA-N
XLogP5.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.02
LogP ≤ 55.46
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

N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50995217
1-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50996120
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
1-(6-chloro-1-cyclobutyl-5-fluorobenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 67034729
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 67033890
1-(5-chloro-4-methyl-2-pyridinyl)-N-cyclohexylpiperidine-4-carboxamide
CID 123365638
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
2-[5,6-dichloro-2-[4-[(cyclopentylamino)-hydroxymethyl]piperidin-1-yl]benzimidazol-1-yl]ethanol
CID 123464438
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide (CID 50995219) is 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide is CCCCCn1c(N2CCC(C(=O)NC3CCCC3)CC2)nc2cc(C)c(Cl)cc21.
What is the InChIKey of 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is QRKTXBPABBCUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O/c1-3-4-7-12-29-22-16-20(25)17(2)15-21(22)27-24(29)28-13-10-18(11-14-28)23(30)26-19-8-5-6-9-19/h15-16,18-19H,3-14H2,1-2H3,(H,26,30).
What are the key properties of 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide?
1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 431.02 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-1-pentylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 50995219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).