2-<5-(p-anisyl)-4,5-dihydropyrazol-3-yl>benzimidazole | 132308-54-4

• 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: 2-<5-(p-anisyl)-4,5-dihydropyrazol-3-yl>benzimidazole
• 英文别名: 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-3-pyrazolyl]-1H-benzimidazole；NSC 747363；2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1H-benzimidazole
• CAS: 132308-54-4
• 化学式: C₁₇H₁₆N₄O
• 分子量: 292.34
• InChiKey: FUPAYCVYGAOAQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  62.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-benzimidazolyl)-3-(p-anisyl)-2-propen-1-one 在 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以60%的产率得到2-<5-(p-anisyl)-4,5-dihydropyrazol-3-yl>benzimidazole
  参考文献：
  名称：

  Sawhney; Vir; Gupta, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1990, vol. 29, # 12, p. 1107 - 1112

  摘要：

  DOI：

文献信息

• Pyrazoline bearing benzimidazoles: Search for anticancer agent
  作者：Mohammad Shaharyar、M.M. Abdullah、M.A. Bakht、Jaseela Majeed

  DOI：10.1016/j.ejmech.2009.09.032

  日期：2010.1

  2-acetyl benzimidazole was allowed to react with substituted aromatic aldehydes to get desired intermediate chalcones (2a-g), the cyclocondensation of these intermediates with hydrazine hydrate and phenyl hydrazine in two separate reactions yielded pyrazoline derivatives (3a-g & 4a-g respectively). Among the synthesize compounds, six compounds were granted NSC code and screened at National Cancer Institute (NCI), USA for anticancer activity at a single high dose (10(-5) M) in full NCI 60 cell panel. Among the selected compounds, (4f) 2-[5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-3-pyrazolyl]-1H-benzimidazole (NSC 748326) was found to be the most active candidate of the series and selected for further evaluation at five dose level screening. (C) 2009 Elsevier Masson SAS. All rights reserved.
• SAWHNEY, S. N.;VIR, DHARAM;GUPTA, ASHA, INDIAN J. CHEM. B, 29,(1990) N2, C. 1107-1112
  作者：SAWHNEY, S. N.、VIR, DHARAM、GUPTA, ASHA

  DOI：——

  日期：——
• ZOOROB H. H.; HAMMOUDA H. A.; ISMAIL E., Z. NATURFORSCH. <ZENB-AX>, 1977, 32B, NO 4, 443-446
  作者：ZOOROB H. H.、 HAMMOUDA H. A.、 ISMAIL E.

  DOI：——

  日期：——