A1LY3
Summary
| Name: | 5-(3-phenylmethoxypropyl)-1H-imidazole |
| Formula: | C13 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 216.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(3-phenylmethoxypropyl)-1~{H}-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15) |
| InChIKey | InChI | 1.06 | WNWALBVQAAIULR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C(COCc1ccccc1)Cc2[nH]cnc2 |
| SMILES | CACTVS | 3.385 | C(COCc1ccccc1)Cc2[nH]cnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COCCCc2cnc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COCCCc2cnc[nH]2 |
