RXS
Summary
| Name: | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile |
| Formula: | C12 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 197.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile |
| OpenEye OEToolkits | 2.0.6 | 3-[(2-methylimidazol-1-yl)methyl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2(Cc1cc(ccc1)C#N)c(ncc2)C |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3 |
| InChIKey | InChI | 1.03 | HMXUYPBDUYSWMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nccn1Cc2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | Cc1nccn1Cc2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nccn1Cc2cccc(c2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nccn1Cc2cccc(c2)C#N |
