B5B
Summary
| Name: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole |
| Formula: | C19 H24 N4 |
| Formal charge: | 0 |
| Formula weight: | 308.421 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H24N4/c1-16(2)13-18-19(17-7-4-3-5-8-17)21-15-23(18)11-6-10-22-12-9-20-14-22/h3-5,7-9,12,14-16H,6,10-11,13H2,1-2H3 |
| InChIKey | InChI | 1.03 | WJQVYWBLSJRHQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cc1n(CCCn2ccnc2)cnc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(C)Cc1n(CCCn2ccnc2)cnc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1c(ncn1CCCn2ccnc2)c3ccccc3 |
