4-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1H-imidazole

• ChemBase ID: 604942
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: c1(nc(c[nH]1)c1ccc(cc1)OCC)c1n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1c1[nH]cc(n1)c1ccc(cc1)OCC
• InChI: InChI=1S/C17H20N4O2/c1-3-23-14-6-4-13(5-7-14)15-12-19-16(20-15)17-18-8-9-21(17)10-11-22-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)
• InChIKey: CYRZDIPJWXVJEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1H-imidazole
• IUPAC Traditional name: 4-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)imidazol-2-yl]-1H-imidazole
• Synonyms: 4'-(4-ethoxyphenyl)-1-(2-methoxyethyl)-1H,1'H-2,2'-biimidazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.714187
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4725583
• LogD (pH = 7.4): 2.5464697
• Log P: 2.5475338
• Molar Refractivity: 108.9508 cm^3
• Polarizability: 34.994545 Å^3
• Polar Surface Area: 64.96 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.68
• LOG S: -3.77
• Polar Surface Area: 64.96 Å^2
• Rotatable Bonds: 7