2-{2-[2-(4-methoxy-3-methylphenyl)-1H-imidazol-1-yl]phenyl}ethan-1-ol

• ChemBase ID: 488686
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: n1(c(ncc1)c1cc(c(cc1)OC)C)c1c(CCO)cccc1
• Canonical SMILES: OCCc1ccccc1n1ccnc1c1ccc(c(c1)C)OC
• InChI: InChI=1S/C19H20N2O2/c1-14-13-16(7-8-18(14)23-2)19-20-10-11-21(19)17-6-4-3-5-15(17)9-12-22/h3-8,10-11,13,22H,9,12H2,1-2H3
• InChIKey: MDBHURRNWPPVHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(4-methoxy-3-methylphenyl)-1H-imidazol-1-yl]phenyl}ethan-1-ol
• IUPAC Traditional name: 2-{2-[2-(4-methoxy-3-methylphenyl)imidazol-1-yl]phenyl}ethanol
• Synonyms: 2-{2-[2-(4-methoxy-3-methylphenyl)-1H-imidazol-1-yl]phenyl}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.86112
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.180054
• LogD (pH = 7.4): 3.6260798
• Log P: 3.638242
• Molar Refractivity: 112.1833 cm^3
• Polarizability: 36.21776 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.19
• LOG S: -5.03
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5