1-[1,5-Bis-(4-chloro-phenyl)-2-methyl-1H-pyrrol-3-ylmethyl]-1H-imidazole | 146204-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-[1,5-Bis-(4-chloro-phenyl)-2-methyl-1H-pyrrol-3-ylmethyl]-1H-imidazole
• 英文别名: 1-[[1,5-Bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]imidazole；1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]imidazole
• CAS: 146204-68-4
• 化学式: C₂₁H₁₇Cl₂N₃
• 分子量: 382.292
• InChiKey: ZDPLCFKXMFHCJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  22.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  咪唑 、 [1,5-Bis-(4-chloro-phenyl)-2-methyl-1H-pyrrol-3-ylmethyl]-trimethyl-ammonium; iodide 以 二甲基亚砜 为溶剂， 反应 4.0h， 以45%的产率得到1-[1,5-Bis-(4-chloro-phenyl)-2-methyl-1H-pyrrol-3-ylmethyl]-1H-imidazole
  参考文献：
  名称：

  Studies on anti-Candida agents with a pyrrole moiety. Synthesis and microbiological activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives

  摘要：

  The synthesis and anti-Candida activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives are reported. Some derivatives show a rather strong anti-Candida activity. On the basis of experimental results, microbiological activity of 1,5-diarylpyrroles appears to be mainly related to aminic nitrogen lone pair availability of C3 substituent of the pyrrole nucleus. The C5 and N1 substituents play an important role in modulating biological activity. Some structure-activity relationships are proposed.

  DOI：

  10.1016/0223-5234(92)90090-n

文献信息

• Studies on anti-Candida agents with a pyrrole moiety. Synthesis and microbiological activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives
  作者：F Cerreto、A Villa、A Retico、M Scalzo

  DOI：10.1016/0223-5234(92)90090-n

  日期：1992.10

  The synthesis and anti-Candida activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives are reported. Some derivatives show a rather strong anti-Candida activity. On the basis of experimental results, microbiological activity of 1,5-diarylpyrroles appears to be mainly related to aminic nitrogen lone pair availability of C3 substituent of the pyrrole nucleus. The C5 and N1 substituents play an important role in modulating biological activity. Some structure-activity relationships are proposed.