2-(4,5-二氢-1H-咪唑-2-基)-5-甲基-1H-苯并咪唑 | 14483-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-(4,5-二氢-1H-咪唑-2-基)-5-甲基-1H-苯并咪唑
• 英文名称: 2-(2-Imidazolin-2-yl)5-methylbenzimidazol
• 英文别名: 5-Methyl-2-(2-imidazolinyl-(2))-benzimidazol；2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1(3)H-benzoimidazole；2-(4,5-Dihydro-1H-imidazol-2-yl)-5-methyl-1H-benzo[d]imidazole；2-(4,5-dihydro-1H-imidazol-2-yl)-6-methyl-1H-benzimidazole
• CAS: 14483-91-1
• 化学式: C₁₁H₁₂N₄
• 分子量: 200.243
• InChiKey: WZPLUFLCMFCCRA-UHFFFAOYSA-N

物化性质

• 熔点：
  240 °C(Solv: benzene (71-43-2))
• 沸点：
  414.7±38.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙二胺 、 5-Methyl-2-trichlormethylbenzimidazol 以92%的产率得到2-(4,5-二氢-1H-咪唑-2-基)-5-甲基-1H-苯并咪唑
  参考文献：
  名称：

  2-(4,5-Dihydroimidazol-2-yl)benzimidazoles as highly selective imidazoline I2/adrenergic α2 receptor ligands

  摘要：

  2-(4,5-Dihydroimidazol-2-yl)benzimidazoles have been identified as selective imidazoline I-2/alpha(2)-adrenoceptor ligands. 4-Methyl (2) and 4-chloro (4) derivatives display 12 affinity at nanomolar concentration (K-i = 4.4 and 17.7 nM, respectively) and high I-2/alpha(2) selectivity ratio = 4226 and 5649, respectively. An evidence has been obtained that pK(a) value influences considerably the I-2/alpha(2)-selectivity ratio of this class of imidazoline 12 receptor ligands. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.05.062

文献信息

• 2-(4,5-Dihydroimidazol-2-yl)benzimidazoles as highly selective imidazoline I2/adrenergic α2 receptor ligands
  作者：Francieszek Sączewski、Piotr Tabin、Robin J. Tyacke、Alys Maconie、Jarosław Sączewski、Anita Kornicka、David J. Nutt、Alan L. Hudson

  DOI：10.1016/j.bmc.2006.05.062

  日期：2006.10

  2-(4,5-Dihydroimidazol-2-yl)benzimidazoles have been identified as selective imidazoline I-2/alpha(2)-adrenoceptor ligands. 4-Methyl (2) and 4-chloro (4) derivatives display 12 affinity at nanomolar concentration (K-i = 4.4 and 17.7 nM, respectively) and high I-2/alpha(2) selectivity ratio = 4226 and 5649, respectively. An evidence has been obtained that pK(a) value influences considerably the I-2/alpha(2)-selectivity ratio of this class of imidazoline 12 receptor ligands. (c) 2006 Elsevier Ltd. All rights reserved.