2-[2-(4-phenyl-1H-imidazol-5-yl)phenoxy]ethan-1-ol

• ChemBase ID: 452578
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: c1(c(nc[nH]1)c1ccccc1)c1c(OCCO)cccc1
• Canonical SMILES: OCCOc1ccccc1c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C17H16N2O2/c20-10-11-21-15-9-5-4-8-14(15)17-16(18-12-19-17)13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,18,19)
• InChIKey: OHMIFKFICDJNTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-phenyl-1H-imidazol-5-yl)phenoxy]ethan-1-ol
• IUPAC Traditional name: 2-[2-(5-phenyl-3H-imidazol-4-yl)phenoxy]ethanol
• Synonyms: 2-[2-(4-phenyl-1H-imidazol-5-yl)phenoxy]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.419622
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3871973
• LogD (pH = 7.4): 2.6034677
• Log P: 2.6073046
• Molar Refractivity: 81.5462 cm^3
• Polarizability: 34.105537 Å^3
• Polar Surface Area: 58.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.47
• LOG S: -4.21
• Polar Surface Area: 58.14 Å^2
• Rotatable Bonds: 5