2-{2-[3-(2-methylphenyl)phenyl]-1H-imidazol-1-yl}ethan-1-ol

• ChemBase ID: 365910
• Molecular Formular: C18H18N2O
• Molecular Mass: 278.34832
• Monoisotopic Mass: 278.14191321
• SMILES: c1(n(ccn1)CCO)c1cc(c2c(C)cccc2)ccc1
• Canonical SMILES: OCCn1ccnc1c1cccc(c1)c1ccccc1C
• InChI: InChI=1S/C18H18N2O/c1-14-5-2-3-8-17(14)15-6-4-7-16(13-15)18-19-9-10-20(18)11-12-21/h2-10,13,21H,11-12H2,1H3
• InChIKey: GCWOPWVMKIATBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[3-(2-methylphenyl)phenyl]-1H-imidazol-1-yl}ethan-1-ol
• IUPAC Traditional name: 2-{2-[3-(2-methylphenyl)phenyl]imidazol-1-yl}ethanol
• Synonyms: 2-[2-(2'-methylbiphenyl-3-yl)-1H-imidazol-1-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.457252
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.992493
• LogD (pH = 7.4): 3.5535789
• Log P: 3.573767
• Molar Refractivity: 95.4808 cm^3
• Polarizability: 34.44575 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.22
• LOG S: -3.98
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4