5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one

C20H24F4N2O2S — CID 139518355

IUPAC5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one
SMILESCC(C)(O)c1cc(F)c2nc(CCCC(=O)CSC(F)(F)F)n(C3CCC3)c2c1
InChIInChI=1S/C20H24F4N2O2S/c1-19(2,28)12-9-15(21)18-16(10-12)26(13-5-3-6-13)17(25-18)8-4-7-14(27)11-29-20(22,23)24/h9-10,13,28H,3-8,11H2,1-2H3
InChIKeyVIKCSIXQWLITML-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.27
Rot. Bonds8

About 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one

5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one (PubChem CID 139518355) has the molecular formula C20H24F4N2O2S and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one.

Molecular Properties

Compound Name5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one
PubChem CID139518355
Molecular FormulaC20H24F4N2O2S
Molecular Weight432.48 g/mol
Exact Mass432.15
IUPAC Name5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one
SMILESCC(C)(O)c1cc(F)c2nc(CCCC(=O)CSC(F)(F)F)n(C3CCC3)c2c1
InChIInChI=1S/C20H24F4N2O2S/c1-19(2,28)12-9-15(21)18-16(10-12)26(13-5-3-6-13)17(25-18)8-4-7-14(27)11-29-20(22,23)24/h9-10,13,28H,3-8,11H2,1-2H3
InChIKeyVIKCSIXQWLITML-UHFFFAOYSA-N
XLogP5.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[4-(2-Fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-5-yl]propan-2-ol
CID 69162804
2,2,2-Trifluoro-1-[1-(4-fluorophenyl)-2-methylbenzimidazol-5-yl]-1-(1-methyl-3a,7a-dihydroindol-3-yl)ethanol
CID 70861871
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 118938317
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide
CID 118941504
N-[1-cyclobutyl-5-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 129064807
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(3-fluoro-3-methylcyclobutyl)acetamide
CID 129064809
N-(1-Cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)-1H-benzo[d]imidazol-2-yl)-3,3-dimethylbutanamide
CID 129064810
(2S)-N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3-dimethylbutanamide
CID 129064814
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-(1-methylcyclobutyl)acetamide
CID 129064817
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 129064818
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylpentanamide
CID 129064823
N-[1-cyclobutyl-7-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 129064825

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one?
The IUPAC name of 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one (CID 139518355) is 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one.
What is the SMILES notation for 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one?
The canonical SMILES for 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one is CC(C)(O)c1cc(F)c2nc(CCCC(=O)CSC(F)(F)F)n(C3CCC3)c2c1.
What is the InChIKey of 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one?
The InChIKey is VIKCSIXQWLITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N2O2S/c1-19(2,28)12-9-15(21)18-16(10-12)26(13-5-3-6-13)17(25-18)8-4-7-14(27)11-29-20(22,23)24/h9-10,13,28H,3-8,11H2,1-2H3.
What are the key properties of 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one?
5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one has a molecular weight of 432.48 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-1-(trifluoromethylsulfanyl)pentan-2-one is sourced from PubChem (CID 139518355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).