Q7U
Summary
| Name: | 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea |
| Formula: | C15 H13 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 300.743 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2-chlorophenyl)-3-(1-methyl-1H-benzimidazol-2-yl)urea |
| OpenEye OEToolkits | 1.9.2 | 1-(2-chlorophenyl)-3-(1-methylbenzimidazol-2-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1NC(=O)Nc3nc2ccccc2n3C |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClN4O/c1-20-13-9-5-4-8-12(13)17-14(20)19-15(21)18-11-7-3-2-6-10(11)16/h2-9H,1H3,(H2,17,18,19,21) |
| InChIKey | InChI | 1.03 | NOFMBQDHIIQTMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(NC(=O)Nc2ccccc2Cl)nc3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1c(NC(=O)Nc2ccccc2Cl)nc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl |
