N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide

C17H19F4N3O2 — CID 139487169

IUPACN-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)(CC(=O)Nc1nc2c(F)cc(O)cc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C17H19F4N3O2/c1-16(2,17(19,20)21)8-13(26)22-15-23-14-11(18)6-10(25)7-12(14)24(15)9-4-3-5-9/h6-7,9,25H,3-5,8H2,1-2H3,(H,22,23,26)
InChIKeyYSJIVMLBSIHGSH-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.52
Rot. Bonds4

About N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide

N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 139487169) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID139487169
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC NameN-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCC(C)(CC(=O)Nc1nc2c(F)cc(O)cc2n1C1CCC1)C(F)(F)F
InChIInChI=1S/C17H19F4N3O2/c1-16(2,17(19,20)21)8-13(26)22-15-23-14-11(18)6-10(25)7-12(14)24(15)9-4-3-5-9/h6-7,9,25H,3-5,8H2,1-2H3,(H,22,23,26)
InChIKeyYSJIVMLBSIHGSH-UHFFFAOYSA-N
XLogP4.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 139487169) is N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide is CC(C)(CC(=O)Nc1nc2c(F)cc(O)cc2n1C1CCC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is YSJIVMLBSIHGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c1-16(2,17(19,20)21)8-13(26)22-15-23-14-11(18)6-10(25)7-12(14)24(15)9-4-3-5-9/h6-7,9,25H,3-5,8H2,1-2H3,(H,22,23,26).
What are the key properties of N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide?
N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 373.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-4-fluoro-6-hydroxybenzimidazol-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 139487169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).