2-{2-[4-phenyl-5-(2,4,6-trimethylphenyl)-1H-imidazol-1-yl]ethoxy}ethan-1-ol

• ChemBase ID: 576566
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: c1(c(ncn1CCOCCO)c1ccccc1)c1c(cc(cc1C)C)C
• Canonical SMILES: OCCOCCn1cnc(c1c1c(C)cc(cc1C)C)c1ccccc1
• InChI: InChI=1S/C22H26N2O2/c1-16-13-17(2)20(18(3)14-16)22-21(19-7-5-4-6-8-19)23-15-24(22)9-11-26-12-10-25/h4-8,13-15,25H,9-12H2,1-3H3
• InChIKey: BLMDFKMMRBYVJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[4-phenyl-5-(2,4,6-trimethylphenyl)-1H-imidazol-1-yl]ethoxy}ethan-1-ol
• IUPAC Traditional name: 2-{2-[4-phenyl-5-(2,4,6-trimethylphenyl)imidazol-1-yl]ethoxy}ethanol
• Synonyms: 2-[2-(5-mesityl-4-phenyl-1H-imidazol-1-yl)ethoxy]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.121206
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.229564
• LogD (pH = 7.4): 4.477308
• Log P: 4.4819407
• Molar Refractivity: 106.1468 cm^3
• Polarizability: 43.021324 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.71
• LOG S: -4.92
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 7