1-(2-methanesulfonylethyl)-5-[2-(5-methylfuran-2-yl)propyl]-4-phenyl-1H-imidazole

• ChemBase ID: 672779
• Molecular Formular: C20H24N2O3S
• Molecular Mass: 372.48116
• Monoisotopic Mass: 372.15076364
• SMILES: c1(c(ncn1CCS(=O)(=O)C)c1ccccc1)CC(c1oc(cc1)C)C
• Canonical SMILES: Cc1ccc(o1)C(Cc1n(cnc1c1ccccc1)CCS(=O)(=O)C)C
• InChI: InChI=1S/C20H24N2O3S/c1-15(19-10-9-16(2)25-19)13-18-20(17-7-5-4-6-8-17)21-14-22(18)11-12-26(3,23)24/h4-10,14-15H,11-13H2,1-3H3
• InChIKey: XGILLUGNHBDJHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methanesulfonylethyl)-5-[2-(5-methylfuran-2-yl)propyl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 1-(2-methanesulfonylethyl)-5-[2-(5-methylfuran-2-yl)propyl]-4-phenylimidazole
• Synonyms: 5-[2-(5-methyl-2-furyl)propyl]-1-[2-(methylsulfonyl)ethyl]-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9842975
• LogD (pH = 7.4): 2.5404654
• Log P: 2.5605497
• Molar Refractivity: 103.277 cm^3
• Polarizability: 41.378674 Å^3
• Polar Surface Area: 65.1 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -4.35
• Polar Surface Area: 65.1 Å^2