4-(5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-4-phenyl-1H-imidazol-2-yl)phenol | 1417447-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-4-phenyl-1H-imidazol-2-yl)phenol
• 英文别名: 4-[4-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazol-2-yl]phenol
• CAS: 1417447-23-4
• 化学式: C₂₈H₂₉N₃O₂
• 分子量: 439.557
• InChiKey: BMKKXFAIQHKZLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯乙酸 在 selenium(IV) oxide 、 三氟化硼乙醚 、 ammonium acetate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 、 溶剂黄146 、 乙腈 为溶剂， 反应 68.17h， 生成 4-(5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-4-phenyl-1H-imidazol-2-yl)phenol
  参考文献：
  名称：

  Design, synthesis, and cytotoxic activities of new 2,4,5-triarylimidazoles

  摘要：

  A new group of 2,4,5-triarylimidazoles containing N,N-dimethylaminoethoxy or piperidinyl ethoxy group at the para position of the C-5 phenyl ring were synthesized and their cytotoxic activities were evaluated on three different breast cancer cell lines using MTT assay. The compounds contain various substituents at the para position of C-2 phenyl ring. Among the synthesized compounds, 4-(5-(4-(2-piperidin-1-yl)ethoxy)phenyl)-4-phenyl-1H-imidazol-2-yl)phenol (11e) and 1-2-(4-(2,4-diphenyl-1H-imidazol-5-yl)phenoxy)ethyl) piperidine (11h) with IC(50)s of less than 0.1 mu M on all three cell lines were the most potent cytotoxic compounds.

  DOI：

  10.1007/s00044-012-0391-5