A1D49
Summary
| Name: | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one |
| Synonyms: | PQ912 |
| Formula: | C19 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 336.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | XHIKZWOEFZENIX-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccc(cc1)[C@H]2CNC(=O)N2c3ccc4nc[nH]c4c3 |
| SMILES | CACTVS | 3.385 | CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc(cc1)[C@H]2CNC(=O)N2c3ccc4c(c3)[nH]cn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1ccc(cc1)C2CNC(=O)N2c3ccc4c(c3)[nH]cn4 |
