5-(4,5-dimethylfuran-2-yl)-1-(oxolan-2-ylmethyl)-4-phenyl-1H-imidazole

• ChemBase ID: 847774
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: c1(n(cnc1c1ccccc1)CC1OCCC1)c1oc(c(c1)C)C
• Canonical SMILES: Cc1oc(cc1C)c1n(cnc1c1ccccc1)CC1CCCO1
• InChI: InChI=1S/C20H22N2O2/c1-14-11-18(24-15(14)2)20-19(16-7-4-3-5-8-16)21-13-22(20)12-17-9-6-10-23-17/h3-5,7-8,11,13,17H,6,9-10,12H2,1-2H3
• InChIKey: HCVRJBHJEPKFSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4,5-dimethylfuran-2-yl)-1-(oxolan-2-ylmethyl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(4,5-dimethylfuran-2-yl)-1-(oxolan-2-ylmethyl)-4-phenylimidazole
• Synonyms: 5-(4,5-dimethyl-2-furyl)-4-phenyl-1-(tetrahydrofuran-2-ylmethyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.818809
• LogD (pH = 7.4): 3.8698726
• Log P: 3.8705723
• Molar Refractivity: 94.5239 cm^3
• Polarizability: 38.584938 Å^3
• Polar Surface Area: 40.19 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: 4.17
• LOG S: -5.11
• Polar Surface Area: 40.19 Å^2
• Rotatable Bonds: 4