2-(2-{1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl}phenoxy)ethan-1-ol

• ChemBase ID: 863548
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(n(ccn1)Cc1ccc(cc1)OC)c1c(OCCO)cccc1
• Canonical SMILES: OCCOc1ccccc1c1nccn1Cc1ccc(cc1)OC
• InChI: InChI=1S/C19H20N2O3/c1-23-16-8-6-15(7-9-16)14-21-11-10-20-19(21)17-4-2-3-5-18(17)24-13-12-22/h2-11,22H,12-14H2,1H3
• InChIKey: CAQHZIHRIYSOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl}phenoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-{1-[(4-methoxyphenyl)methyl]imidazol-2-yl}phenoxy)ethanol
• Synonyms: 2-{2-[1-(4-methoxybenzyl)-1H-imidazol-2-yl]phenoxy}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.102129
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4020483
• LogD (pH = 7.4): 2.8119016
• Log P: 2.8222506
• Molar Refractivity: 102.8424 cm^3
• Polarizability: 36.262566 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.95
• LOG S: -3.23
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 7