N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

C17H22FN3O3 — CID 129075871

IUPACN-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCOc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F
InChIInChI=1S/C17H22FN3O3/c1-17(2,23)9-13(22)20-16-19-11-7-8-12(24-3)14(18)15(11)21(16)10-5-4-6-10/h7-8,10,23H,4-6,9H2,1-3H3,(H,19,20,22)
InChIKeyADOFLRIYHXUJBL-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.01
Rot. Bonds5

About N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 129075871) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
PubChem CID129075871
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCOc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F
InChIInChI=1S/C17H22FN3O3/c1-17(2,23)9-13(22)20-16-19-11-7-8-12(24-3)14(18)15(11)21(16)10-5-4-6-10/h7-8,10,23H,4-6,9H2,1-3H3,(H,19,20,22)
InChIKeyADOFLRIYHXUJBL-UHFFFAOYSA-N
XLogP3.01
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclobutyl-6-(difluoromethoxy)-7-fluorobenzimidazol-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide
CID 159863010
N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 139487215
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
(3R)-N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075879
N-(3-cyclobutyl-5-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
CID 130361741
bis(N-(1-tert-butyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide);N-(1-cyclobutyl-6-cyclopropyl-5-methoxybenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-cyclopropyl-5-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide;N-(1-cyclobutyl-7-fluoro-6-isocyanobenzimidazol-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(1-cyclobutyl-6-isocyano-4-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 161095634
N-[1-cyclobutyl-6-isocyano-7-(trifluoromethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 153432469
N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129064863
(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide
CID 130359765
N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129064902
N-[1-cyclobutyl-6-(1-hydroxycyclobutyl)-7-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 139487083
(3S)-N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075984

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (CID 129075871) is N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is COc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2c1F.
What is the InChIKey of N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The InChIKey is ADOFLRIYHXUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-17(2,23)9-13(22)20-16-19-11-7-8-12(24-3)14(18)15(11)21(16)10-5-4-6-10/h7-8,10,23H,4-6,9H2,1-3H3,(H,19,20,22).
What are the key properties of N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 335.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 129075871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).