5-ethyl-2-[1-(2-methanesulfonylethyl)-4-phenyl-1H-imidazol-5-yl]pyridine

• ChemBase ID: 573783
• Molecular Formular: C19H21N3O2S
• Molecular Mass: 355.45394
• Monoisotopic Mass: 355.13544793
• SMILES: c1(c(ncn1CCS(=O)(=O)C)c1ccccc1)c1ncc(cc1)CC
• Canonical SMILES: CCc1ccc(nc1)c1n(cnc1c1ccccc1)CCS(=O)(=O)C
• InChI: InChI=1S/C19H21N3O2S/c1-3-15-9-10-17(20-13-15)19-18(16-7-5-4-6-8-16)21-14-22(19)11-12-25(2,23)24/h4-10,13-14H,3,11-12H2,1-2H3
• InChIKey: JRUZVPFYKGIUQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-[1-(2-methanesulfonylethyl)-4-phenyl-1H-imidazol-5-yl]pyridine
• IUPAC Traditional name: 5-ethyl-2-[3-(2-methanesulfonylethyl)-5-phenylimidazol-4-yl]pyridine
• Synonyms: 5-ethyl-2-{1-[2-(methylsulfonyl)ethyl]-4-phenyl-1H-imidazol-5-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.397573
• LogD (pH = 7.4): 2.4833868
• Log P: 2.4846146
• Molar Refractivity: 98.8681 cm^3
• Polarizability: 41.482746 Å^3
• Polar Surface Area: 64.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.19
• LOG S: -3.66
• Polar Surface Area: 64.85 Å^2
• Rotatable Bonds: 6