47Q
Summary
| Name: | 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one |
| Formula: | C13 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 240.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one |
| OpenEye OEToolkits | 1.9.2 | 5-(pyridin-2-ylmethylamino)-1,3-dihydrobenzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2Nc1ccc(cc1N2)NCc3ncccc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4O/c18-13-16-11-5-4-9(7-12(11)17-13)15-8-10-3-1-2-6-14-10/h1-7,15H,8H2,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | MRKXGDLFRQWMOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccc(NCc3ccccn3)cc2N1 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccc(NCc3ccccn3)cc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccnc(c1)CNc2ccc3c(c2)NC(=O)N3 |
