N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide

C24H38N4O — CID 50996655

IUPACN-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NCCC(C)(C)C)CC3)n(C(C)C)c2cc1C
InChIInChI=1S/C24H38N4O/c1-16(2)28-21-15-18(4)17(3)14-20(21)26-23(28)27-12-8-19(9-13-27)22(29)25-11-10-24(5,6)7/h14-16,19H,8-13H2,1-7H3,(H,25,29)
InChIKeyOICQYBRWMOTFAA-UHFFFAOYSA-N
MW398.60 g/mol
LogP5.00
Rot. Bonds5

About N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide

N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 50996655) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID50996655
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC NameN-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc2nc(N3CCC(C(=O)NCCC(C)(C)C)CC3)n(C(C)C)c2cc1C
InChIInChI=1S/C24H38N4O/c1-16(2)28-21-15-18(4)17(3)14-20(21)26-23(28)27-12-8-19(9-13-27)22(29)25-11-10-24(5,6)7/h14-16,19H,8-13H2,1-7H3,(H,25,29)
InChIKeyOICQYBRWMOTFAA-UHFFFAOYSA-N
XLogP5.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50996832
N-cyclopentyl-1-(1-heptyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 50995217
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-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-N-cyclopentylpiperidine-4-carboxamide
CID 50996120
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
1-[1-(cyclobutadienyl)-5,6-dimethylbenzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67034114
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
N-cyclopentyl-1-[5,6-dimethyl-1-(3-methylphenyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 50997190
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 67034050
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 50996655) is N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide is Cc1cc2nc(N3CCC(C(=O)NCCC(C)(C)C)CC3)n(C(C)C)c2cc1C.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is OICQYBRWMOTFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-16(2)28-21-15-18(4)17(3)14-20(21)26-23(28)27-12-8-19(9-13-27)22(29)25-11-10-24(5,6)7/h14-16,19H,8-13H2,1-7H3,(H,25,29).
What are the key properties of N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50996655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).