(1-benzyl-1H-benzo[d]imidazol-2-yl)(4-(1-methylpiperidin-4-yl)piperazin-1-yl)methanone | 1076863-48-3

• 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: (1-benzyl-1H-benzo[d]imidazol-2-yl)(4-(1-methylpiperidin-4-yl)piperazin-1-yl)methanone
• 英文别名: (1-benzylbenzimidazol-2-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
• CAS: 1076863-48-3
• 化学式: C₂₅H₃₁N₅O
• 分子量: 417.554
• InChiKey: VILOXEIUKQLLOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-benzyl-1H-benzo[d]imidazole-2-carboxylic acid 、 1-(1-甲基哌啶-4-基)哌嗪 在 2-氯-1,3-二甲基氯化咪唑啉 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 以96%的产率得到(1-benzyl-1H-benzo[d]imidazol-2-yl)(4-(1-methylpiperidin-4-yl)piperazin-1-yl)methanone
  参考文献：
  名称：

  1-Benzylbenzimidazoles: The discovery of a novel series of bradykinin B1 receptor antagonists

  摘要：

  The design, synthesis, and structure-activity studies of a novel series of BK B-1 receptor antagonists based on a 1-benzylbenzimidazole chemotype are described. A number of compounds, for example, 38g, with excellent affinity for the cynomolgus macaque and rat bradykinin B-1 receptor were discovered. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.014

文献信息

• 1-Benzylbenzimidazoles: The discovery of a novel series of bradykinin B1 receptor antagonists
  作者：Qin Guo、Jayaraman Chandrasekhar、David Ihle、David J. Wustrow、Bertrand L. Chenard、James E. Krause、Alan Hutchison、Dawn Alderman、Charles Cheng、Daniel Cortright、Daniel Broom、Mark T. Kershaw、Jean Simmermacher-Mayer、Yao Peng、Kevin J. Hodgetts

  DOI：10.1016/j.bmcl.2008.08.014

  日期：2008.9

  The design, synthesis, and structure-activity studies of a novel series of BK B-1 receptor antagonists based on a 1-benzylbenzimidazole chemotype are described. A number of compounds, for example, 38g, with excellent affinity for the cynomolgus macaque and rat bradykinin B-1 receptor were discovered. (C) 2008 Elsevier Ltd. All rights reserved.