6-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole | 1171009-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole
• 英文别名: 6-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-benzimidazole
• CAS: 1171009-54-3
• 化学式: C₁₄H₁₆N₂O
• 分子量: 228.294
• InChiKey: XHDKEXKFBSPYHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(4-methoxyphenyl)cyclohexanone 、 醋酸甲脒 在 N-溴代丁二酰亚胺(NBS) 、 amberlyst-15 、 N,N-二异丙基乙胺 作用下， 以 乙酸乙酯 、 二甲基亚砜 为溶剂， 生成 6-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole
  参考文献：
  名称：

  Potent and selective α1A adrenoceptor partial agonists—Novel imidazole frameworks

  摘要：

  Novel imidazole frameworks have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Nitrile 28 possessed attractive CNS drug-like properties with good membrane permeability and no P-pg mediated efflux. 28 also possessed excellent solubility, metabolic stability and wide ligand selectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.162

文献信息

• Potent and selective α1A adrenoceptor partial agonists—Novel imidazole frameworks
  作者：Gavin A. Whitlock、Paul E. Brennan、Lee R. Roberts、Alan Stobie

  DOI：10.1016/j.bmcl.2009.03.162

  日期：2009.6

  Novel imidazole frameworks have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Nitrile 28 possessed attractive CNS drug-like properties with good membrane permeability and no P-pg mediated efflux. 28 also possessed excellent solubility, metabolic stability and wide ligand selectivity. (C) 2009 Elsevier Ltd. All rights reserved.