5-{2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-2-methoxypyridine

• ChemBase ID: 462444
• Molecular Formular: C17H17N3O2
• Molecular Mass: 295.33578
• Monoisotopic Mass: 295.1320768
• SMILES: n1cn(cc1)CCOc1c(c2cnc(cc2)OC)cccc1
• Canonical SMILES: COc1ccc(cn1)c1ccccc1OCCn1cncc1
• InChI: InChI=1S/C17H17N3O2/c1-21-17-7-6-14(12-19-17)15-4-2-3-5-16(15)22-11-10-20-9-8-18-13-20/h2-9,12-13H,10-11H2,1H3
• InChIKey: XGUCBZXGGREPDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-2-methoxypyridine
• IUPAC Traditional name: 5-{2-[2-(imidazol-1-yl)ethoxy]phenyl}-2-methoxypyridine
• Synonyms: 5-{2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0577643
• LogD (pH = 7.4): 2.5224993
• Log P: 2.5888407
• Molar Refractivity: 84.2177 cm^3
• Polarizability: 33.597176 Å^3
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.5
• LOG S: -3.49
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 6