4EP
Summary
| Name: | 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one |
| Formula: | C16 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 284.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one |
| OpenEye OEToolkits | 1.9.2 | 3-[2,4-bis(oxidanyl)-5-propyl-phenyl]-1H-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21) |
| InChIKey | InChI | 1.03 | SOTMROXSYBGQBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O |
| SMILES | CACTVS | 3.385 | CCCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCc1cc(c(cc1O)O)N2c3ccccc3NC2=O |
