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 |