1-(5-fluoro-2-methylphenyl)-2-(oxolan-3-yl)-1H-imidazole

• ChemBase ID: 376257
• Molecular Formular: C14H15FN2O
• Molecular Mass: 246.2801032
• Monoisotopic Mass: 246.11684133
• SMILES: n1(c(ncc1)C1COCC1)c1cc(ccc1C)F
• Canonical SMILES: Fc1ccc(c(c1)n1ccnc1C1COCC1)C
• InChI: InChI=1S/C14H15FN2O/c1-10-2-3-12(15)8-13(10)17-6-5-16-14(17)11-4-7-18-9-11/h2-3,5-6,8,11H,4,7,9H2,1H3
• InChIKey: XRJPRGBAGGKLJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoro-2-methylphenyl)-2-(oxolan-3-yl)-1H-imidazole
• IUPAC Traditional name: 1-(5-fluoro-2-methylphenyl)-2-(oxolan-3-yl)imidazole
• Synonyms: 1-(5-fluoro-2-methylphenyl)-2-(tetrahydrofuran-3-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8881395
• LogD (pH = 7.4): 2.6044586
• Log P: 2.647943
• Molar Refractivity: 77.7004 cm^3
• Polarizability: 26.08247 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.52
• LOG S: -3.15
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 2