5-(1-benzofuran-2-yl)-1-(2-methanesulfonylethyl)-4-phenyl-1H-imidazole

• ChemBase ID: 654942
• Molecular Formular: C20H18N2O3S
• Molecular Mass: 366.43352
• Monoisotopic Mass: 366.10381345
• SMILES: c1(c2oc3c(c2)cccc3)c(ncn1CCS(=O)(=O)C)c1ccccc1
• Canonical SMILES: CS(=O)(=O)CCn1cnc(c1c1cc2c(o1)cccc2)c1ccccc1
• InChI: InChI=1S/C20H18N2O3S/c1-26(23,24)12-11-22-14-21-19(15-7-3-2-4-8-15)20(22)18-13-16-9-5-6-10-17(16)25-18/h2-10,13-14H,11-12H2,1H3
• InChIKey: UEVYOQWPDITRQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3911831
• LogD (pH = 7.4): 2.4369485
• Log P: 2.437571
• Molar Refractivity: 100.4734 cm^3
• Polarizability: 43.189774 Å^3
• Polar Surface Area: 65.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.13
• LOG S: -4.55
• Polar Surface Area: 65.1 Å^2
• Rotatable Bonds: 5