NEE
Summary
| Name: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole |
| Formula: | C18 H17 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 312.793 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole |
| OpenEye OEToolkits | 1.7.6 | 1-[[3-(4-chloranyl-3,5-dimethyl-phenoxy)phenyl]methyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3c(cc(Oc1cc(ccc1)Cn2ccnc2)cc3C)C |
| InChI | InChI | 1.03 | InChI=1S/C18H17ClN2O/c1-13-8-17(9-14(2)18(13)19)22-16-5-3-4-15(10-16)11-21-7-6-20-12-21/h3-10,12H,11H2,1-2H3 |
| InChIKey | InChI | 1.03 | KRDUMXYLMIWMMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl |
| SMILES | CACTVS | 3.370 | Cc1cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3 |
