2-{3-[2-(2-fluoro-4,5-dimethoxyphenyl)-1H-imidazol-1-yl]phenyl}-N-methylacetamide

• ChemBase ID: 315496
• Molecular Formular: C20H20FN3O3
• Molecular Mass: 369.3895032
• Monoisotopic Mass: 369.14886974
• SMILES: c1(c2c(cc(c(c2)OC)OC)F)n(c2cc(CC(=O)NC)ccc2)ccn1
• Canonical SMILES: CNC(=O)Cc1cccc(c1)n1ccnc1c1cc(OC)c(cc1F)OC
• InChI: InChI=1S/C20H20FN3O3/c1-22-19(25)10-13-5-4-6-14(9-13)24-8-7-23-20(24)15-11-17(26-2)18(27-3)12-16(15)21/h4-9,11-12H,10H2,1-3H3,(H,22,25)
• InChIKey: NWZGICDHNSUQRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[2-(2-fluoro-4,5-dimethoxyphenyl)-1H-imidazol-1-yl]phenyl}-N-methylacetamide
• IUPAC Traditional name: 2-{3-[2-(2-fluoro-4,5-dimethoxyphenyl)imidazol-1-yl]phenyl}-N-methylacetamide
• Synonyms: 2-{3-[2-(2-fluoro-4,5-dimethoxyphenyl)-1H-imidazol-1-yl]phenyl}-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.952583
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4033332
• LogD (pH = 7.4): 2.638727
• Log P: 2.6430218
• Molar Refractivity: 120.2773 cm^3
• Polarizability: 39.10424 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.74
• LOG S: -4.23
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6