5-(1H-imidazol-2-yl)-2-phenoxypyridine

• ChemBase ID: 749719
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: c1(c2cnc(Oc3ccccc3)cc2)ncc[nH]1
• Canonical SMILES: c1ccc(cc1)Oc1ccc(cn1)c1ncc[nH]1
• InChI: InChI=1S/C14H11N3O/c1-2-4-12(5-3-1)18-13-7-6-11(10-17-13)14-15-8-9-16-14/h1-10H,(H,15,16)
• InChIKey: MSENEAFPRSRBDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-imidazol-2-yl)-2-phenoxypyridine
• IUPAC Traditional name: 5-(1H-imidazol-2-yl)-2-phenoxypyridine
• Synonyms: 5-(1H-imidazol-2-yl)-2-phenoxypyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.4626875
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.170884
• LogD (pH = 7.4): 2.7360547
• Log P: 2.7566183
• Molar Refractivity: 78.5118 cm^3
• Polarizability: 26.854393 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.72
• LOG S: -3.25
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 3