2-[5-(1-ethyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]-N,N-dimethylethane-1-sulfonamide

• ChemBase ID: 560196
• Molecular Formular: C18H23N5O2S
• Molecular Mass: 373.47252
• Monoisotopic Mass: 373.157246
• SMILES: c1(c2n(ccn2)CC)c(ncn1CCS(=O)(=O)N(C)C)c1ccccc1
• Canonical SMILES: CCn1ccnc1c1n(cnc1c1ccccc1)CCS(=O)(=O)N(C)C
• InChI: InChI=1S/C18H23N5O2S/c1-4-22-11-10-19-18(22)17-16(15-8-6-5-7-9-15)20-14-23(17)12-13-26(24,25)21(2)3/h5-11,14H,4,12-13H2,1-3H3
• InChIKey: CRUUSJWVKCGOJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(1-ethyl-1H-imidazol-2-yl)-4-phenyl-1H-imidazol-1-yl]-N,N-dimethylethane-1-sulfonamide
• IUPAC Traditional name: 2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethylethanesulfonamide
• Synonyms: 2-(1-ethyl-5'-phenyl-1H,3'H-2,4'-biimidazol-3'-yl)-N,N-dimethylethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1042744
• LogD (pH = 7.4): 1.4052651
• Log P: 1.4110798
• Molar Refractivity: 112.268 cm^3
• Polarizability: 41.449425 Å^3
• Polar Surface Area: 73.02 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: 1.87
• LOG S: -3.52
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 6