N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide

C18H25N3O — CID 118941483

IUPACN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C18H25N3O/c1-12-8-9-14-15(10-12)21(13-6-5-7-13)17(19-14)20-16(22)11-18(2,3)4/h8-10,13H,5-7,11H2,1-4H3,(H,19,20,22)
InChIKeyNWEYHHQRLFUAEL-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.44
Rot. Bonds3

About N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 118941483) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
PubChem CID118941483
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1
InChIInChI=1S/C18H25N3O/c1-12-8-9-14-15(10-12)21(13-6-5-7-13)17(19-14)20-16(22)11-18(2,3)4/h8-10,13H,5-7,11H2,1-4H3,(H,19,20,22)
InChIKeyNWEYHHQRLFUAEL-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118938285
N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 139487147
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide
CID 139304056
3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
CID 140706446
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 118941523
N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride
CID 160628655
N-(6-cyano-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
CID 130359793
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
CID 170109994
3,3-dimethyl-N-[6-methyl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-2-yl]butanamide
CID 118941508

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide (CID 118941483) is N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide is Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2c1.
What is the InChIKey of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is NWEYHHQRLFUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-8-9-14-15(10-12)21(13-6-5-7-13)17(19-14)20-16(22)11-18(2,3)4/h8-10,13H,5-7,11H2,1-4H3,(H,19,20,22).
What are the key properties of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 299.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 118941483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).