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

C28H35N5O2 — CID 50995772

IUPAC1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccc(C(N)=O)cc3)c2cc1C
InChIInChI=1S/C28H35N5O2/c1-18-15-24-25(16-19(18)2)33(17-20-7-9-21(10-8-20)26(29)34)28(31-24)32-13-11-22(12-14-32)27(35)30-23-5-3-4-6-23/h7-10,15-16,22-23H,3-6,11-14,17H2,1-2H3,(H2,29,34)(H,30,35)
InChIKeyJORDCQMQLRPAOR-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.08
Rot. Bonds6

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

1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 50995772) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID50995772
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccc(C(N)=O)cc3)c2cc1C
InChIInChI=1S/C28H35N5O2/c1-18-15-24-25(16-19(18)2)33(17-20-7-9-21(10-8-20)26(29)34)28(31-24)32-13-11-22(12-14-32)27(35)30-23-5-3-4-6-23/h7-10,15-16,22-23H,3-6,11-14,17H2,1-2H3,(H2,29,34)(H,30,35)
InChIKeyJORDCQMQLRPAOR-UHFFFAOYSA-N
XLogP4.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(4-carbamoylphenyl)methyl]-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-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
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
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67034050
1-[1-(4-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67036215
N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50996832
1-[1-[1-[(4-bromophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
CID 123979346

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide (CID 50995772) is 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide is Cc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)n(Cc3ccc(C(N)=O)cc3)c2cc1C.
What is the InChIKey of 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is JORDCQMQLRPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-18-15-24-25(16-19(18)2)33(17-20-7-9-21(10-8-20)26(29)34)28(31-24)32-13-11-22(12-14-32)27(35)30-23-5-3-4-6-23/h7-10,15-16,22-23H,3-6,11-14,17H2,1-2H3,(H2,29,34)(H,30,35).
What are the key properties of 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide?
1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-carbamoylphenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 50995772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).