N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

C16H19ClFN3O2 — CID 129064902

IUPACN-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(F)cc(Cl)cc2n1C1CCC1
InChIInChI=1S/C16H19ClFN3O2/c1-16(2,23)8-13(22)19-15-20-14-11(18)6-9(17)7-12(14)21(15)10-4-3-5-10/h6-7,10,23H,3-5,8H2,1-2H3,(H,19,20,22)
InChIKeyJGIYTYVEKMWFSX-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.65
Rot. Bonds4

About N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide

N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 129064902) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
PubChem CID129064902
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC NameN-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)Nc1nc2c(F)cc(Cl)cc2n1C1CCC1
InChIInChI=1S/C16H19ClFN3O2/c1-16(2,23)8-13(22)19-15-20-14-11(18)6-9(17)7-12(14)21(15)10-4-3-5-10/h6-7,10,23H,3-5,8H2,1-2H3,(H,19,20,22)
InChIKeyJGIYTYVEKMWFSX-UHFFFAOYSA-N
XLogP3.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide
CID 139487250
N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 139487169
N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-methylbutanamide
CID 129064903
N-(4-chloro-1-cyclobutyl-6-cyclopropylbenzimidazol-2-yl)-4-fluoro-3-(fluoromethyl)-3-hydroxybutanamide
CID 129075885
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
N-(1-cyclobutyl-7-fluoro-6-methoxybenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide
CID 129075871
N-(3-cyclobutyl-5-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
CID 130361741
(3S)-N-[6-cyano-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 129075729
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
CID 170109994
3,3-dimethyl-N-(4,5,6-trichloro-1-cyclobutyl-7-methoxybenzimidazol-2-yl)butanamide
CID 139487210
(3S)-N-(5-chloro-3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359812

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide (CID 129064902) is N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)Nc1nc2c(F)cc(Cl)cc2n1C1CCC1.
What is the InChIKey of N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
The InChIKey is JGIYTYVEKMWFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-16(2,23)8-13(22)19-15-20-14-11(18)6-9(17)7-12(14)21(15)10-4-3-5-10/h6-7,10,23H,3-5,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide?
N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 339.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 129064902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).