1-(2-methanesulfonylethyl)-2-(1-phenylethyl)-1H-imidazole

• ChemBase ID: 625015
• Molecular Formular: C14H18N2O2S
• Molecular Mass: 278.36992
• Monoisotopic Mass: 278.10889883
• SMILES: c1(n(CCS(=O)(=O)C)ccn1)C(c1ccccc1)C
• Canonical SMILES: CC(c1nccn1CCS(=O)(=O)C)c1ccccc1
• InChI: InChI=1S/C14H18N2O2S/c1-12(13-6-4-3-5-7-13)14-15-8-9-16(14)10-11-19(2,17)18/h3-9,12H,10-11H2,1-2H3
• InChIKey: CDILOWUWPMRBNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methanesulfonylethyl)-2-(1-phenylethyl)-1H-imidazole
• IUPAC Traditional name: 1-(2-methanesulfonylethyl)-2-(1-phenylethyl)imidazole
• Synonyms: 1-[2-(methylsulfonyl)ethyl]-2-(1-phenylethyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.37540576
• LogD (pH = 7.4): 1.1754171
• Log P: 1.2585353
• Molar Refractivity: 75.714 cm^3
• Polarizability: 30.035534 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.89
• LOG S: -1.99
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 5