1-[2-methoxy-2-(thiophen-2-yl)ethyl]-2-(2-methylphenyl)-1H-imidazole

• ChemBase ID: 515069
• Molecular Formular: C17H18N2OS
• Molecular Mass: 298.40262
• Monoisotopic Mass: 298.11398421
• SMILES: c1(n(CC(c2sccc2)OC)ccn1)c1c(C)cccc1
• Canonical SMILES: COC(c1cccs1)Cn1ccnc1c1ccccc1C
• InChI: InChI=1S/C17H18N2OS/c1-13-6-3-4-7-14(13)17-18-9-10-19(17)12-15(20-2)16-8-5-11-21-16/h3-11,15H,12H2,1-2H3
• InChIKey: CPYPRXRJBJKITD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-methoxy-2-(thiophen-2-yl)ethyl]-2-(2-methylphenyl)-1H-imidazole
• IUPAC Traditional name: 1-[2-methoxy-2-(thiophen-2-yl)ethyl]-2-(2-methylphenyl)imidazole
• Synonyms: 1-[2-methoxy-2-(2-thienyl)ethyl]-2-(2-methylphenyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6758192
• LogD (pH = 7.4): 4.245783
• Log P: 4.2667894
• Molar Refractivity: 96.2685 cm^3
• Polarizability: 33.552895 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.77
• LOG S: -4.6
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5