3-{2-[2-(benzyloxy)phenyl]-1H-imidazol-1-yl}propan-1-ol

• ChemBase ID: 834675
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c2c(OCc3ccccc3)cccc2)n(ccn1)CCCO
• Canonical SMILES: OCCCn1ccnc1c1ccccc1OCc1ccccc1
• InChI: InChI=1S/C19H20N2O2/c22-14-6-12-21-13-11-20-19(21)17-9-4-5-10-18(17)23-15-16-7-2-1-3-8-16/h1-5,7-11,13,22H,6,12,14-15H2
• InChIKey: ZTZXAHWOFKURNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[2-(benzyloxy)phenyl]-1H-imidazol-1-yl}propan-1-ol
• IUPAC Traditional name: 3-{2-[2-(benzyloxy)phenyl]imidazol-1-yl}propan-1-ol
• Synonyms: 3-{2-[2-(benzyloxy)phenyl]-1H-imidazol-1-yl}propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.923079
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6015096
• LogD (pH = 7.4): 3.0286958
• Log P: 3.0398817
• Molar Refractivity: 101.2446 cm^3
• Polarizability: 35.60057 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.48
• LOG S: -3.57
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7