3a-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo<1,2-a>benzimidazol-1-one | 116910-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3a-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo<1,2-a>benzimidazol-1-one
• 英文别名: 3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
• CAS: 116910-58-8
• 化学式: C₁₆H₁₃FN₂O
• 分子量: 268.29
• InChiKey: KTARQOJLDRKIDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻苯二胺 、 3-(4-氟苯甲酰基)丙酸 以 甲苯 为溶剂， 反应 6.0h， 以48%的产率得到3a-(4-fluorophenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo<1,2-a>benzimidazol-1-one
  参考文献：
  名称：

  Synthesis and anticonvulsant properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-1-ones

  摘要：

  A series of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-1-ones were synthesized and evaluated for anticonvulsant activity in DBA/2 mice against sound-induced seizures and in rats against maximal electroshock-induced seizures. Most of the derivatives showed an anticonvulsant effect better than that of valproate, a commonly used anticonvulsant drug. Compound 3 possessed an anticonvulsant activity comparable to that of diphenylhydantoin in both tests and was selected for further studies. Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00121a019

文献信息

• Synthesis and anticonvulsant properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-1-ones
  作者：Alba Chimirri、Angelina De Sarro、Giovambattista De Sarro、Silvana Grasso、Giuseppe R. Trimarchi、Maria Zappala

  DOI：10.1021/jm00121a019

  日期：1989.1

  A series of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-1-ones were synthesized and evaluated for anticonvulsant activity in DBA/2 mice against sound-induced seizures and in rats against maximal electroshock-induced seizures. Most of the derivatives showed an anticonvulsant effect better than that of valproate, a commonly used anticonvulsant drug. Compound 3 possessed an anticonvulsant activity comparable to that of diphenylhydantoin in both tests and was selected for further studies. Structure-activity relationships are discussed.