N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide

C20H26F3N3O2 — CID 139487250

IUPACN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide
SMILESCC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)C(F)F)n(C3CCC3)c2c1
InChIInChI=1S/C20H26F3N3O2/c1-19(2,17(22)23)10-15(27)24-18-25-16-13(21)8-11(20(3,4)28)9-14(16)26(18)12-6-5-7-12/h8-9,12,17,28H,5-7,10H2,1-4H3,(H,24,25,27)
InChIKeyALJJBCZNBOKRJD-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.75
Rot. Bonds6

About N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide (PubChem CID 139487250) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide
PubChem CID139487250
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide
SMILESCC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)C(F)F)n(C3CCC3)c2c1
InChIInChI=1S/C20H26F3N3O2/c1-19(2,17(22)23)10-15(27)24-18-25-16-13(21)8-11(20(3,4)28)9-14(16)26(18)12-6-5-7-12/h8-9,12,17,28H,5-7,10H2,1-4H3,(H,24,25,27)
InChIKeyALJJBCZNBOKRJD-UHFFFAOYSA-N
XLogP4.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.75
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-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide?
The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide (CID 139487250) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide is CC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)C(F)F)n(C3CCC3)c2c1.
What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide?
The InChIKey is ALJJBCZNBOKRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-19(2,17(22)23)10-15(27)24-18-25-16-13(21)8-11(20(3,4)28)9-14(16)26(18)12-6-5-7-12/h8-9,12,17,28H,5-7,10H2,1-4H3,(H,24,25,27).
What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide?
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide has a molecular weight of 397.44 g/mol, XLogP of 4.75, 6 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-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-4,4-difluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 139487250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).