2-(2,3-dichlorophenyl)-1-(2-methanesulfonylethyl)-1H-imidazole

• ChemBase ID: 395050
• Molecular Formular: C12H12Cl2N2O2S
• Molecular Mass: 319.20688
• Monoisotopic Mass: 317.99965399
• SMILES: c1(c2c(c(Cl)ccc2)Cl)n(CCS(=O)(=O)C)ccn1
• Canonical SMILES: Clc1cccc(c1Cl)c1nccn1CCS(=O)(=O)C
• InChI: InChI=1S/C12H12Cl2N2O2S/c1-19(17,18)8-7-16-6-5-15-12(16)9-3-2-4-10(13)11(9)14/h2-6H,7-8H2,1H3
• InChIKey: DYEXHYLVRONVOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)-1-(2-methanesulfonylethyl)-1H-imidazole
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)-1-(2-methanesulfonylethyl)imidazole
• Synonyms: 2-(2,3-dichlorophenyl)-1-[2-(methylsulfonyl)ethyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 1.5336629
• LogD (pH = 7.4): 1.9788849
• Log P: 1.991004
• Molar Refractivity: 86.6881 cm^3
• Polarizability: 30.944124 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 1.47
• LOG S: -2.78
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0