TKK
Summary
| Name: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole |
| Formula: | C16 H10 Br2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 406.071 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H |
| InChIKey | InChI | 1.03 | VPDSIMZNWBLFCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3 |
| SMILES | CACTVS | 3.385 | Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2nccn2c3ccc(c(c3)Br)C=O)Br |
