N-((1H-benzo[d]imidazol-2-yl)methyl)-3-chloroaniline | 1179122-30-5

• 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: N-((1H-benzo[d]imidazol-2-yl)methyl)-3-chloroaniline
• 英文别名: N-(1H-benzimidazol-2-ylmethyl)-3-chloroaniline
• CAS: 1179122-30-5
• 化学式: C₁₄H₁₂ClN₃
• mdl: MFCD12567510
• 分子量: 257.722
• InChiKey: CQTORNIBNAMGHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氯甲基苯并咪唑 、 3-氯苯胺 在 potassium iodide 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 以84%的产率得到N-((1H-benzo[d]imidazol-2-yl)methyl)-3-chloroaniline
  参考文献：
  名称：

  In-vivo analgesic and anti-inflammatory activities of newly synthesized benzimidazole derivatives

  摘要：

  A series of 2-methylaminobenzimidazole derivatives (1-11) were synthesized by the reaction of 2-(chloromethyl)-1H-benzimidazole derivatives with primary aromatic amines. All these compounds were characterized by IR, H-1 NMR, C-13 NMR, GC-MS and elemental analysis. The newly synthesized compounds were screened for analgesic and anti-inflammatory activities on acetic acid induced writhing in mice and carrageenan induced paw oedema in rats. Compounds (7) and (2) showed a potent analgesic (89% at 100 mg/kg b.w) and anti-inflammatory (100% at 100 mg/kg b.w) activities compared with standard drug Nimesulide (100% at 50 mg/kg b.w) respectively. The other compounds showed good analgesic and anti-inflammatory activities. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.01.029

文献信息

• In-vivo analgesic and anti-inflammatory activities of newly synthesized benzimidazole derivatives
  作者：Kavitha C.S. Achar、Kallappa M. Hosamani、Harisha R. Seetharamareddy

  DOI：10.1016/j.ejmech.2010.01.029

  日期：2010.5

  A series of 2-methylaminobenzimidazole derivatives (1-11) were synthesized by the reaction of 2-(chloromethyl)-1H-benzimidazole derivatives with primary aromatic amines. All these compounds were characterized by IR, H-1 NMR, C-13 NMR, GC-MS and elemental analysis. The newly synthesized compounds were screened for analgesic and anti-inflammatory activities on acetic acid induced writhing in mice and carrageenan induced paw oedema in rats. Compounds (7) and (2) showed a potent analgesic (89% at 100 mg/kg b.w) and anti-inflammatory (100% at 100 mg/kg b.w) activities compared with standard drug Nimesulide (100% at 50 mg/kg b.w) respectively. The other compounds showed good analgesic and anti-inflammatory activities. (C) 2010 Elsevier Masson SAS. All rights reserved.