QK2
Summary
| Name: | 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one |
| Formula: | C18 H24 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 333.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-fluoranyl-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1~{H}-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H24FN3O2/c1-12-10-15(19)17-16(11-12)22(18(23)20-17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23) |
| InChIKey | InChI | 1.03 | KRRSQJOVDWYKHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(F)c2NC(=O)N(C3CCN(CC3)C4CCOCC4)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(F)c2NC(=O)N(C3CCN(CC3)C4CCOCC4)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(c(c1)F)NC(=O)N2C3CCN(CC3)C4CCOCC4 |
