5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoroethyl)-4-phenyl-1H-imidazole

• ChemBase ID: 345837
• Molecular Formular: C18H16F2N2O
• Molecular Mass: 314.3292464
• Monoisotopic Mass: 314.12306958
• SMILES: c1(c2c(c(OC)ccc2)F)c(ncn1CCF)c1ccccc1
• Canonical SMILES: FCCn1cnc(c1c1cccc(c1F)OC)c1ccccc1
• InChI: InChI=1S/C18H16F2N2O/c1-23-15-9-5-8-14(16(15)20)18-17(13-6-3-2-4-7-13)21-12-22(18)11-10-19/h2-9,12H,10-11H2,1H3
• InChIKey: IAKYMMHXQYMQQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoroethyl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoroethyl)-4-phenylimidazole
• Synonyms: 1-(2-fluoroethyl)-5-(2-fluoro-3-methoxyphenyl)-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.736673
• LogD (pH = 7.4): 3.8628397
• Log P: 3.8647745
• Molar Refractivity: 84.9672 cm^3
• Polarizability: 34.485344 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.87
• LOG S: -4.8
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 4