3-{3-[2-(5-methylfuran-2-yl)-1H-imidazol-1-yl]propoxy}pyridine

• ChemBase ID: 334950
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(c2oc(cc2)C)n(ccn1)CCCOc1cnccc1
• Canonical SMILES: Cc1ccc(o1)c1nccn1CCCOc1cccnc1
• InChI: InChI=1S/C16H17N3O2/c1-13-5-6-15(21-13)16-18-8-10-19(16)9-3-11-20-14-4-2-7-17-12-14/h2,4-8,10,12H,3,9,11H2,1H3
• InChIKey: QFQJYAHGJPSNMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3-[2-(5-methylfuran-2-yl)-1H-imidazol-1-yl]propoxy}pyridine
• IUPAC Traditional name: 3-{3-[2-(5-methylfuran-2-yl)imidazol-1-yl]propoxy}pyridine
• Synonyms: 3-{3-[2-(5-methyl-2-furyl)-1H-imidazol-1-yl]propoxy}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6810561
• LogD (pH = 7.4): 1.8469728
• Log P: 1.849367
• Molar Refractivity: 89.8124 cm^3
• Polarizability: 30.865253 Å^3
• Polar Surface Area: 53.08 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: 1.94
• LOG S: -2.92
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 6