W5Z
Summary
| Name: | 3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide |
| Formula: | C12 H12 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 233.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | 3-fluoranyl-~{N}-(2-imidazol-1-ylethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)C(=O)NCCn1ccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17) |
| InChIKey | InChI | 1.06 | JDPNLLCNTLNJHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)NCCn2ccnc2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)NCCn2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)C(=O)NCCn2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)C(=O)NCCn2ccnc2 |
