(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide

C21H31N3O — CID 146420832

IUPAC(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
SMILESCCC(C)c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C21H31N3O/c1-6-14(4)16-10-11-18-19(12-16)24(17-8-7-9-17)21(22-18)23-20(25)15(5)13(2)3/h10-15,17H,6-9H2,1-5H3,(H,22,23,25)/t14?,15-/m0/s1
InChIKeyUGNRLJONCRQRMN-LOACHALJSA-N
MW341.50 g/mol
LogP5.51
Rot. Bonds6

About (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide

(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide (PubChem CID 146420832) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
PubChem CID146420832
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
SMILESCCC(C)c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C21H31N3O/c1-6-14(4)16-10-11-18-19(12-16)24(17-8-7-9-17)21(22-18)23-20(25)15(5)13(2)3/h10-15,17H,6-9H2,1-5H3,(H,22,23,25)/t14?,15-/m0/s1
InChIKeyUGNRLJONCRQRMN-LOACHALJSA-N
XLogP5.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole
CID 170981842
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
CID 146264731
(2S)-N-(1-cyclobutyl-6-ethynylbenzimidazol-2-yl)-2,3,3-trimethylbutanamide
CID 139303961
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 134560811
(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide
CID 159583952
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 47066357
N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732157
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 118938264
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 118941523

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
The IUPAC name of (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide (CID 146420832) is (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide.
What is the SMILES notation for (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
The canonical SMILES for (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide is CCC(C)c1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2c1.
What is the InChIKey of (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
The InChIKey is UGNRLJONCRQRMN-LOACHALJSA-N. The full InChI is InChI=1S/C21H31N3O/c1-6-14(4)16-10-11-18-19(12-16)24(17-8-7-9-17)21(22-18)23-20(25)15(5)13(2)3/h10-15,17H,6-9H2,1-5H3,(H,22,23,25)/t14?,15-/m0/s1.
What are the key properties of (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide?
(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide has a molecular weight of 341.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide is sourced from PubChem (CID 146420832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).