NUB
Summary
| Name: | 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one |
| Synonyms: | 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one |
| Formula: | C20 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 337.416 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O2/c1-14-11-16(13-22(2)20(14)24)19-21-17-5-3-4-6-18(17)23(19)12-15-7-9-25-10-8-15/h3-6,11,13,15H,7-10,12H2,1-2H3 |
| InChIKey | InChI | 1.03 | IWELMDBRVJWCNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOCC4 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4 |
