1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-hydroxy-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one | 478613-47-7

• 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-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-hydroxy-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
• 英文别名: 3-[1-[2-[1-(2-chloro-5-methylphenoxy)cyclohexyl]-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
• CAS: 478613-47-7
• 化学式: C₂₇H₃₄ClN₃O₃
• 分子量: 484.038
• InChiKey: YHSQFQMXFCKVHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  65
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-hydroxy-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-imidazol-1-yl-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
  参考文献：
  名称：

  Synthesis and SAR studies of 3-phenoxypropyl piperidine analogues as ORL1 (NOP) receptor agonists

  摘要：

  A series of 3-phenoxypropyl piperidine analogues have been discovered as novel ORL1 receptor agonists. Structure-activity relationships have been explored around the 3-phenoxypropyl region with several potent and selective analogues identified. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.049
• 作为产物：
  描述：

  2-氯-5-甲酚 在 sodium hydride 作用下， 以 甲醇 、 二甲基亚砜 、 甲苯 为溶剂， 生成 1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-2-hydroxy-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
  参考文献：
  名称：

  Synthesis and SAR studies of 3-phenoxypropyl piperidine analogues as ORL1 (NOP) receptor agonists

  摘要：

  A series of 3-phenoxypropyl piperidine analogues have been discovered as novel ORL1 receptor agonists. Structure-activity relationships have been explored around the 3-phenoxypropyl region with several potent and selective analogues identified. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.049

文献信息

• Synthesis and SAR studies of 3-phenoxypropyl piperidine analogues as ORL1 (NOP) receptor agonists
  作者：Ronald Palin、David R. Barn、John K. Clark、Jean E. Cottney、Phillip M. Cowley、Marc Crockatt、Louise Evans、Helen Feilden、Richard R. Goodwin、Frank Griekspoor、Simon J.A. Grove、Andrea K. Houghton、Philip S. Jones、Richard J. Morphy、Alasdair R.C. Smith、Hardy Sundaram、David Vrolijk、Mark A. Weston、Grant Wishart、Paul Wren

  DOI：10.1016/j.bmcl.2004.11.049

  日期：2005.2

  A series of 3-phenoxypropyl piperidine analogues have been discovered as novel ORL1 receptor agonists. Structure-activity relationships have been explored around the 3-phenoxypropyl region with several potent and selective analogues identified. (C) 2004 Elsevier Ltd. All rights reserved.