5G8
Summary
| Name: | 1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole |
| Formula: | C14 H16 Cl2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 299.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole |
| OpenEye OEToolkits | 1.9.2 | 1-[5-[2,4-bis(chloranyl)phenoxy]pentyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(OCCCCCn1ccnc1)c(Cl)cc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2 |
| InChIKey | InChI | 1.03 | RCLGZIGOWPMCRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(OCCCCCn2ccnc2)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(OCCCCCn2ccnc2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1Cl)Cl)OCCCCCn2ccnc2 |
