P9Y
Summary
| Name: | 1-[3-(4-chlorophenoxy)propyl]-1H-imidazole |
| Formula: | C12 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 236.697 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(4-chlorophenoxy)propyl]-1H-imidazole |
| OpenEye OEToolkits | 2.0.6 | 1-[3-(4-chloranylphenoxy)propyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)Cl)OCCCn2ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN2O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9H2 |
| InChIKey | InChI | 1.03 | SKSDKBJVBWKTMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(OCCCn2ccnc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(OCCCn2ccnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1OCCCn2ccnc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1OCCCn2ccnc2)Cl |
