K44
Summary
| Name: | 5,6,7,8-TETRABROMO-1-METHYL-2,3-DIHYDRO-1H-IMIDAZO[1,2-A]BENZIMIDAZOLE |
| Synonyms: | N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE |
| Formula: | C10 H7 Br4 N3 |
| Formal charge: | 0 |
| Formula weight: | 488.799 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5,6,7,8-tetrabromo-1-methyl-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole |
| OpenEye OEToolkits | 1.5.0 | (3R)-5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1c2nc3n(c2c(Br)c(Br)c1Br)CCN3C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23 |
| SMILES | CACTVS | 3.341 | CN1CCn2c1nc3c(Br)c(Br)c(Br)c(Br)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3 |
| InChIKey | InChI | 1.03 | QHCZROILDUNGRT-UHFFFAOYSA-N |
