5-[2-(furan-3-yl)-1H-imidazol-1-yl]-2-(3-methoxyphenoxy)pyridine

• ChemBase ID: 715529
• Molecular Formular: C19H15N3O3
• Molecular Mass: 333.3407
• Monoisotopic Mass: 333.11134136
• SMILES: c1(n(c2cnc(Oc3cc(OC)ccc3)cc2)ccn1)c1cocc1
• Canonical SMILES: COc1cccc(c1)Oc1ccc(cn1)n1ccnc1c1cocc1
• InChI: InChI=1S/C19H15N3O3/c1-23-16-3-2-4-17(11-16)25-18-6-5-15(12-21-18)22-9-8-20-19(22)14-7-10-24-13-14/h2-13H,1H3
• InChIKey: BBTQHPCAXWDGRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(furan-3-yl)-1H-imidazol-1-yl]-2-(3-methoxyphenoxy)pyridine
• IUPAC Traditional name: 5-[2-(furan-3-yl)imidazol-1-yl]-2-(3-methoxyphenoxy)pyridine
• Synonyms: 5-[2-(3-furyl)-1H-imidazol-1-yl]-2-(3-methoxyphenoxy)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3582036
• LogD (pH = 7.4): 3.6159427
• Log P: 3.6208272
• Molar Refractivity: 112.482 cm^3
• Polarizability: 36.50338 Å^3
• Polar Surface Area: 62.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.97
• LOG S: -4.17
• Polar Surface Area: 62.31 Å^2
• Rotatable Bonds: 5