N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide

C25H29F2N3O2 — CID 129075535

IUPACN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)c3ccc(F)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29F2N3O2/c1-24(2,15-8-10-17(26)11-9-15)14-21(31)28-23-29-22-19(27)12-16(25(3,4)32)13-20(22)30(23)18-6-5-7-18/h8-13,18,32H,5-7,14H2,1-4H3,(H,28,29,31)
InChIKeyFKXJZPKFDRIHMK-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.57
Rot. Bonds6

About N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide

N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide (PubChem CID 129075535) has the molecular formula C25H29F2N3O2 and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide
PubChem CID129075535
Molecular FormulaC25H29F2N3O2
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC NameN-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)c3ccc(F)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29F2N3O2/c1-24(2,15-8-10-17(26)11-9-15)14-21(31)28-23-29-22-19(27)12-16(25(3,4)32)13-20(22)30(23)18-6-5-7-18/h8-13,18,32H,5-7,14H2,1-4H3,(H,28,29,31)
InChIKeyFKXJZPKFDRIHMK-UHFFFAOYSA-N
XLogP5.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide (CID 129075535) is N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide is CC(C)(O)c1cc(F)c2nc(NC(=O)CC(C)(C)c3ccc(F)cc3)n(C3CCC3)c2c1.
What is the InChIKey of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide?
The InChIKey is FKXJZPKFDRIHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O2/c1-24(2,15-8-10-17(26)11-9-15)14-21(31)28-23-29-22-19(27)12-16(25(3,4)32)13-20(22)30(23)18-6-5-7-18/h8-13,18,32H,5-7,14H2,1-4H3,(H,28,29,31).
What are the key properties of N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide?
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 441.52 g/mol, XLogP of 5.57, 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]-3-(4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 129075535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).