6-hydroxy-1-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-1,3-dihydro-benzimidazol-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-hydroxy-1-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-1,3-dihydro-benzimidazol-2-one
• 英文别名: 5-hydroxy-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
• 化学式: C₂₀H₂₁F₃N₄O₂
• 分子量: 406.408
• InChiKey: BTORTJHSHQSYNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  59
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-hydroxy-1-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-1,3-dihydro-benzimidazol-2-one 在 三氧化硫 N,N-二甲基甲酰胺络合物 作用下， 以 吡啶 为溶剂， 生成 {2-oxo-3-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-1H-benzimidazol-5-yl} mono sulfuric acid ester
  参考文献：
  名称：

  WO2008/74795

  摘要：

  公开号：

文献信息

• Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity
  申请人：Sprout Pharmaceuticals, Inc.

  公开号：US20150011564A1

  公开（公告）日：2015-01-08

  The present invention pertains to a compound of formula (I) wherein R 1 , R 2 , R 3 , and R 4 are each hydrogen or sulfate monoester with the proviso that R 1 , R 2 , R 3 , and R 4 cannot simultaneously be hydrogen, processess for their preparation and their use as pharmaceuticals in the treatment of CNS disorders.

  本发明涉及一种式（I）的化合物，其中R1、R2、R3和R4分别为氢或硫酸单酯，但R1、R2、R3和R4不能同时为氢。该发明还涉及制备该化合物的方法以及将其用作治疗中枢神经系统疾病的药物。
• SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY
  申请人：Volz Astrid

  公开号：US20110015207A1

  公开（公告）日：2011-01-20

  The present invention pertains to compounds of general formula (I) wherein R 1 , R 2 , R 3 , and R 4 denote hydrogen or sulfate monoester with the proviso that R 1 , R 2 , R 3 , and R 4 cannot simultaneously represent hydrogen, processes for their preparation and their use as pharmaceuticals.

  本发明涉及一般式（I）的化合物，其中R1、R2、R3和R4表示氢或硫酸单酯，但R1、R2、R3和R4不能同时表示氢，其制备过程以及它们作为药物的用途。
• BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY
  申请人：BOEHRINGER INGELHEIM ITALIA S.p.A.

  公开号：EP1218352A1

  公开（公告）日：2002-07-03
• Sexual desire enhancing medicaments comprising benzimidazolone derivatives
  申请人：Ceci Angelo

  公开号：US20070123540A1

  公开（公告）日：2007-05-31

  The invention relates to the use of benzimidazolone derivatives of formula (I) for the preparation of a medicament for the treatment of sexual desire disorders.
• Benzimidazolone Derivatives For the Treatment of Premenstrual and Other Female Sexual Disorders
  申请人：Ceci Angelo

  公开号：US20080242679A1

  公开（公告）日：2008-10-02

  The invention relates to the use of benzimidazolone derivatives of formula (I) for the preparation of a medicament for the treatment of premenstrual and other female sexual disorders.