2-({2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}methyl)-3-methylpyridine

• ChemBase ID: 695170
• Molecular Formular: C20H17N3O
• Molecular Mass: 315.36848
• Monoisotopic Mass: 315.13716218
• SMILES: c1(n(Cc2ncccc2C)ccn1)c1c(c2occc2)cccc1
• Canonical SMILES: Cc1cccnc1Cn1ccnc1c1ccccc1c1ccco1
• InChI: InChI=1S/C20H17N3O/c1-15-6-4-10-21-18(15)14-23-12-11-22-20(23)17-8-3-2-7-16(17)19-9-5-13-24-19/h2-13H,14H2,1H3
• InChIKey: ZBYQJRPZMGROPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[2-(furan-2-yl)phenyl]-1H-imidazol-1-yl}methyl)-3-methylpyridine
• IUPAC Traditional name: 2-({2-[2-(furan-2-yl)phenyl]imidazol-1-yl}methyl)-3-methylpyridine
• Synonyms: 2-({2-[2-(2-furyl)phenyl]-1H-imidazol-1-yl}methyl)-3-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1834078
• LogD (pH = 7.4): 3.8943093
• Log P: 3.912388
• Molar Refractivity: 103.5129 cm^3
• Polarizability: 37.51909 Å^3
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.01
• LOG S: -2.77
• Polar Surface Area: 43.85 Å^2
• Rotatable Bonds: 4