1-(2-methanesulfonylethyl)-4-phenyl-5-(2,4,5-trifluorophenyl)-1H-imidazole

• ChemBase ID: 344776
• Molecular Formular: C18H15F3N2O2S
• Molecular Mass: 380.3841096
• Monoisotopic Mass: 380.08063339
• SMILES: c1(c2c(cc(c(c2)F)F)F)c(ncn1CCS(=O)(=O)C)c1ccccc1
• Canonical SMILES: Fc1cc(F)c(cc1c1n(cnc1c1ccccc1)CCS(=O)(=O)C)F
• InChI: InChI=1S/C18H15F3N2O2S/c1-26(24,25)8-7-23-11-22-17(12-5-3-2-4-6-12)18(23)13-9-15(20)16(21)10-14(13)19/h2-6,9-11H,7-8H2,1H3
• InChIKey: OCJWVRKQOWZZRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methanesulfonylethyl)-4-phenyl-5-(2,4,5-trifluorophenyl)-1H-imidazole
• IUPAC Traditional name: 1-(2-methanesulfonylethyl)-4-phenyl-5-(2,4,5-trifluorophenyl)imidazole
• Synonyms: 1-[2-(methylsulfonyl)ethyl]-4-phenyl-5-(2,4,5-trifluorophenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6541255
• LogD (pH = 7.4): 2.7845395
• Log P: 2.7865524
• Molar Refractivity: 92.404 cm^3
• Polarizability: 37.727306 Å^3
• Polar Surface Area: 51.96 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: 2.73
• LOG S: -4.3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 5