OGY
Summary
| Name: | [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol |
| Formula: | C13 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 216.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol |
| OpenEye OEToolkits | 2.0.7 | [2-(3-phenylpropyl)-1~{H}-imidazol-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccccc1)CCCc2ncc(CO)n2 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O/c16-10-12-9-14-13(15-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2,(H,14,15) |
| InChIKey | InChI | 1.03 | YJBVUMXRLPWRCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1c[nH]c(CCCc2ccccc2)n1 |
| SMILES | CACTVS | 3.385 | OCc1c[nH]c(CCCc2ccccc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCc2[nH]cc(n2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCc2[nH]cc(n2)CO |
