HCID178519032

1'-(5-iodo-1H-benzimidazol-2-yl)spiro[isobenzofuran-1,4'-piperidin]-3-one

1'-(6-iodo-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C19H16IN3O2445.3 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C1OC2(CCN(c3nc4cc(I)ccc4[nH]3)CC2)c2ccccc21
InChIKey: DFHRJPLYXGGXED-UHFFFAOYSA-N
分子式: C19H16IN3O2
平均分子量: 445.3 g/mol
单同位素质量: 445.02872

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 58.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 25
形式电荷: 0
复杂度: 537

ALIASES

名称与别名

共 6 条

SCHEMBL5786287DFHRJPLYXGGXED-UHFFFAOYSA-N1'-(5-iodo-1H-benzimidazol-2-yl)spiro[isobenzofuran-1,4'-piperidin]-3-one1'-(5-iodo-1H- benzimidazol-2-yl)-spiro[isobenzofuran-1,4'-piperidin]-3-one1'-(5-iodo-1H-benzimidazol-2-yl)-spiro[isobenzofuran -1,4'-piperidin]-3-one1'-(5-iodo-1H-benzimidazol-2-yl)-spiro[isobenzofuran-1,4'-piperidin]-3-one

REACTIONS