HCID68671116

cyclopropyl-{4-[3-(1-methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazin-1-yl}-methanone

cyclopropyl-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]methanone

C22H24N4O360.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(-c2cccc(N3CCN(C(=O)C4CC4)CC3)c2)nc2ccccc21
InChIKey: BNBIXXLRZNKGLB-UHFFFAOYSA-N
分子式: C22H24N4O
平均分子量: 360.5 g/mol
单同位素质量: 360.1950114

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 41.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 27
形式电荷: 0
复杂度: 542

ALIASES

名称与别名

共 4 条

SCHEMBL3511096BNBIXXLRZNKGLB-UHFFFAOYSA-NCyclopropyl-{-4-[3-(1-methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazin-1-yl}-methanonecyclopropyl-{4-[3-(1-methyl-1H-benzoimidazol-2-yl)-phenyl]-piperazin-1-yl}-methanone

REACTIONS

参与反应

4 条

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592463B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08592463B2

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