RefChem:1057830
bis((E)-but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
Also Known As: 1-(2-(Allyloxy)ethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate|1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propenyloxy)ethyl)-, (E)-2-butenedioate (1:2)|1-[2-(allyloxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate|(E)-but-2-enedioic acid; 2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole
| Molecular Formula | C26H34N4O9 |
|---|---|
| Molecular Weight | 546.2326 g/mol |
| LogP | 1.8044 |
| Topological Polar Surface Area | 182.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 546.2326 |
| Monoisotopic Mass | 546.2326 |
| Heavy Atoms | 39 |
| Complexity | 1107.3849 |
Chemical Identifiers
| CAS Number | 87233-68-9 |
|---|---|
| SMILES | CN1CCN(CCC1)C2=NC3=CC=CC=C3N2CCOCC=C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1057830 (CAS 87233-68-9), with molecular formula C26H34N4O9 and molecular weight 546.2326 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-prop-2-enoxyethyl)benzimidazole.
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