YJD
Summary
| Name: | 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL |
| Formula: | C16 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 268.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[2-(propan-2-yloxy)-1H-benzimidazol-1-yl]phenol |
| OpenEye OEToolkits | 1.9.2 | 4-(2-propan-2-yloxybenzimidazol-1-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1ccccc1n(c2OC(C)C)c3ccc(O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O2/c1-11(2)20-16-17-14-5-3-4-6-15(14)18(16)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3 |
| InChIKey | InChI | 1.03 | IRWOSCQWORJIQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1nc2ccccc2n1c3ccc(O)cc3 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1nc2ccccc2n1c3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O |
