N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide

C17H23N3O — CID 110765952

IUPACN-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)NC3CCCC3)ccc2n1C
InChIInChI=1S/C17H23N3O/c1-11(2)16-19-14-10-12(8-9-15(14)20(16)3)17(21)18-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,18,21)
InChIKeyRCNQWUAHEXTHBA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds3

About N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide

N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 110765952) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID110765952
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)NC3CCCC3)ccc2n1C
InChIInChI=1S/C17H23N3O/c1-11(2)16-19-14-10-12(8-9-15(14)20(16)3)17(21)18-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,18,21)
InChIKeyRCNQWUAHEXTHBA-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 96679214
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
CID 96677452
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
N-[3-(cyclopropylcarbamoyl)phenyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 71881118
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide (CID 110765952) is N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide is CC(C)c1nc2cc(C(=O)NC3CCCC3)ccc2n1C.
What is the InChIKey of N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is RCNQWUAHEXTHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)16-19-14-10-12(8-9-15(14)20(16)3)17(21)18-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,18,21).
What are the key properties of N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide?
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).