Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-methylsulfanylbenzene-1,3-dicarboxamide
Also Known As: Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)-|1, N,N'-bis(4,5-dihydro-1H-imidazol-2-yl)phenyl)-5-(methylthio)-|1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-methylsulfanylbenzene-1,3-dicarboxamide|n,n'-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-5-(methylsulfanyl)benzene-1,3-dicarboxamide|N~1~,N~3~-Bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(methylsulfanyl)benzene-1,3-dicarboxamide
| Molecular Formula | C27H26N6O2S |
|---|---|
| Molecular Weight | 498.1838 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.1838 |
| Monoisotopic Mass | 498.1838 |
| Heavy Atoms | 36 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 4261-01-2 |
|---|---|
| SMILES | CSC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5 |
| InChIKey | UNIMOOMXPWXBQO-UHFFFAOYSA-N |
Product Overview
Isophthalanilide,4''-di-2-imidazolin-2-yl-5-(methylthio)- (CAS 4261-01-2), with molecular formula C27H26N6O2S and molecular weight 498.1838 g/mol. IUPAC: 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-methylsulfanylbenzene-1,3-dicarboxamide.