5-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-ylmethyl)-4-phenyl-1H-imidazole

• ChemBase ID: 498897
• Molecular Formular: C20H17FN4
• Molecular Mass: 332.3741832
• Monoisotopic Mass: 332.14372478
• SMILES: n1(c(c(nc1)c1ccccc1)c1c(cc(cc1)F)C)Cc1ncc[nH]1
• Canonical SMILES: Fc1ccc(c(c1)C)c1n(cnc1c1ccccc1)Cc1ncc[nH]1
• InChI: InChI=1S/C20H17FN4/c1-14-11-16(21)7-8-17(14)20-19(15-5-3-2-4-6-15)24-13-25(20)12-18-22-9-10-23-18/h2-11,13H,12H2,1H3,(H,22,23)
• InChIKey: ZLGCJRLVMIWJQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-ylmethyl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole
• Synonyms: 5-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-ylmethyl)-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.226139
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8987515
• LogD (pH = 7.4): 3.9155493
• Log P: 4.0140467
• Molar Refractivity: 95.8394 cm^3
• Polarizability: 38.658733 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.53
• LOG S: -4.64
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 4