HCID86634429

1-(2'-Methoxy-biphenyl-3-yl)-1H-imidazole-4-carboxylic acid methoxy-methyl-amide

N-methoxy-1-[3-(2-methoxyphenyl)phenyl]-N-methylimidazole-4-carboxamide

C19H19N3O3337.4 g/mol

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IDENTITY

结构与身份

标准 SMILES: COc1ccccc1-c1cccc(-n2cnc(C(=O)N(C)OC)c2)c1
InChIKey: VPJPSXQJWZPUND-UHFFFAOYSA-N
分子式: C19H19N3O3
平均分子量: 337.4 g/mol
单同位素质量: 337.14264148

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 56.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 25
形式电荷: 0
复杂度: 448

ALIASES

名称与别名

共 3 条

SCHEMBL2495560VPJPSXQJWZPUND-UHFFFAOYSA-N1-(2'-Methoxy-biphenyl-3-yl)-1H-imidazole-4-carboxylic acid methoxy-methyl-amide

REACTIONS

参与反应

25 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID96490

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID148427

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID161407

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID811200

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

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

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HRID818665

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

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

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HRID818844

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

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

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HRID819954

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

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

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HRID1235876

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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