RefChem:1056950
bis((E)-but-2-enedioic acid);1-(4-chlorophenyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Also Known As: 1-Propanone, 1-(4-chlorophenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)|(E)-but-2-enedioic acid; 1-(4-chlorophenyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
| Molecular Formula | C38H39ClN4O9 |
|---|---|
| Molecular Weight | 730.24054 g/mol |
| LogP | 5.2173 |
| Topological Polar Surface Area | 190.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 730.24054 |
| Monoisotopic Mass | 730.24054 |
| Heavy Atoms | 52 |
| Complexity | 1830.5702 |
Chemical Identifiers
| CAS Number | 51493-22-2 |
|---|---|
| SMILES | C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=C(C=C4)Cl)C/C=C\C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056950 (CAS 51493-22-2), with molecular formula C38H39ClN4O9 and molecular weight 730.24054 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(4-chlorophenyl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one.
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