6-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole | 197916-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 6-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
• CAS: 197916-50-0
• 化学式: C₁₂H₁₂ClN₃
• 分子量: 233.7
• InChiKey: CWPYODNOVTYQNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.59
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  40.71
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-氯苄溴 、 6-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(5-chlorobenzimidazol-2-yl)-1-(4-chlorobenzyl)-1,2,3,6-tetrahydropyridine
  参考文献：
  名称：

  4-Heterocyclyl tetrahydropyridines as selective ligands for the human dopamine D4 receptor

  摘要：

  A series of 1,2,3,6-tetrahydropyridines 3 were synthesised, which resulted in selective high affinity dopamine Dq ligands. The SAR of heterocyclic replacements and aromatic substitution was investigated, leading to compounds of nanomolar binding affinity with excellent selectivity over both D-2 and D-3 receptors. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00402-2
• 作为产物：
  描述：

  1-benzyl-4-(5-chlorobenzimidazol-2-yl)-1,2,3,6-tetrahydropyridine 在 甲醇 、 1-氯乙基氯甲酸酯 作用下， 生成 6-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
  参考文献：
  名称：

  4-Heterocyclyl tetrahydropyridines as selective ligands for the human dopamine D4 receptor

  摘要：

  A series of 1,2,3,6-tetrahydropyridines 3 were synthesised, which resulted in selective high affinity dopamine Dq ligands. The SAR of heterocyclic replacements and aromatic substitution was investigated, leading to compounds of nanomolar binding affinity with excellent selectivity over both D-2 and D-3 receptors. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00402-2