2-{2-[4-phenyl-5-(2,4,5-trifluorophenyl)-1H-imidazol-1-yl]ethoxy}ethan-1-ol

• ChemBase ID: 455638
• Molecular Formular: C19H17F3N2O2
• Molecular Mass: 362.3456896
• Monoisotopic Mass: 362.12421245
• SMILES: c1(c2c(cc(c(c2)F)F)F)c(ncn1CCOCCO)c1ccccc1
• Canonical SMILES: OCCOCCn1cnc(c1c1cc(F)c(cc1F)F)c1ccccc1
• InChI: InChI=1S/C19H17F3N2O2/c20-15-11-17(22)16(21)10-14(15)19-18(13-4-2-1-3-5-13)23-12-24(19)6-8-26-9-7-25/h1-5,10-12,25H,6-9H2
• InChIKey: OOAYLEAJVAXDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[4-phenyl-5-(2,4,5-trifluorophenyl)-1H-imidazol-1-yl]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[4-phenyl-5-(2,4,5-trifluorophenyl)imidazol-1-yl]ethoxy}ethanol
• Synonyms: 2-{2-[4-phenyl-5-(2,4,5-trifluorophenyl)-1H-imidazol-1-yl]ethoxy}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.121206
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.239228
• LogD (pH = 7.4): 3.3678033
• Log P: 3.3697822
• Molar Refractivity: 91.6724 cm^3
• Polarizability: 36.61143 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.18
• LOG S: -4.56
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7