HCID178439953

4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid methyl ester

methyl 7-methyl-2-propyl-3H-benzimidazole-5-carboxylate

C13H16N2O2232.28 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCc1nc2cc(C(=O)OC)cc(C)c2[nH]1
InChIKey: DEFDQXCQBZEOGY-UHFFFAOYSA-N
分子式: C13H16N2O2
平均分子量: 232.28 g/mol
单同位素质量: 232.12117776

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 55 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 283

ALIASES

名称与别名

共 27 条

152628-00-74-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid methyl ester6ATE8HY9GZRefChem:1071097Methyl 7-methyl-2-propyl-1H-benzo[d]imidazole-5-carboxylateMethyl 4-methyl-2-propyl-1H-benzimidazole-6-carboxylatemethyl 7-methyl-2-propyl-3H-benzimidazole-5-carboxylateMETHYL 7-METHYL-2-PROPYL-1H-1,3-BENZODIAZOLE-5-CARBOXYLATEMethyl 7-methyl-2-propyl-5-benzimidazolecarboxylate; 2-Propyl-4-methyl-1H-benzimidazole-6-carboxylic Acid Methyl Ester; 2-Propyl-4-methylbenzimidazol-6-carboxylic Acid Methyl Ester;MFCD038447031H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-, methyl esterSCHEMBL159894SCHEMBL1918976DEFDQXCQBZEOGY-UHFFFAOYSA-NMFCD08752519AKOS016009584AC-6374AS-70925DB-050274CS-0089522

REACTIONS