2-{[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-5-methylpyrazine

• ChemBase ID: 323849
• Molecular Formular: C22H19FN4O
• Molecular Mass: 374.4108632
• Monoisotopic Mass: 374.15428947
• SMILES: c1(n(cnc1c1ccccc1)Cc1ncc(nc1)C)c1c(F)cccc1OC
• Canonical SMILES: COc1cccc(c1c1n(cnc1c1ccccc1)Cc1ncc(nc1)C)F
• InChI: InChI=1S/C22H19FN4O/c1-15-11-25-17(12-24-15)13-27-14-26-21(16-7-4-3-5-8-16)22(27)20-18(23)9-6-10-19(20)28-2/h3-12,14H,13H2,1-2H3
• InChIKey: GUKNSJBHCIWRFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-5-methylpyrazine
• IUPAC Traditional name: 2-{[5-(2-fluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]methyl}-5-methylpyrazine
• Synonyms: 2-{[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-5-methylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.083775
• LogD (pH = 7.4): 3.1645977
• Log P: 3.165755
• Molar Refractivity: 104.7351 cm^3
• Polarizability: 42.560116 Å^3
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.07
• LOG S: -4.55
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 5