HCID13763397

1-[2-[4-[(Methylsulfonyl)amino]phenyl]ethyl]-1H-imidazole

N-[4-(2-imidazol-1-ylethyl)phenyl]methanesulfonamide

C12H15N3O2S265.33 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)Nc1ccc(CCn2ccnc2)cc1
InChIKey: VBRDUUVTHASFTO-UHFFFAOYSA-N
分子式: C12H15N3O2S
平均分子量: 265.33 g/mol
单同位素质量: 265.0884979

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 72.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 345

ALIASES

名称与别名

共 5 条

SCHEMBL9661062VBRDUUVTHASFTO-UHFFFAOYSA-N1-[2-[4-[(Methylsulfonyl)amino]phenyl]ethyl]-1H-imidazoleN-[4-[2-(1H-imidazol-1-yl)ethyl]phenyl]methanesulfonamide1-[2-[4-[(Methylsulfonyl)amino]phenyl]ethyl]-1H- imidazole

REACTIONS

参与反应

5 条

uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04613609

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uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04613609

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1987_08 · 10.6084/m9.figshare.5104873.v1 · US04689341

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uspto-grants-1987_08 · 10.6084/m9.figshare.5104873.v1 · US04689341

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