HH7
Summary
| Name: | N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine |
| Formula: | C12 H13 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 286.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-[2,4-bis(chloranyl)phenoxy]propyl]-1~{H}-imidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CCCOc1c(cc(Cl)cc1)Cl)c2nccn2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13Cl2N3O/c13-9-2-3-11(10(14)8-9)18-7-1-4-15-12-16-5-6-17-12/h2-3,5-6,8H,1,4,7H2,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | UQDWUIGCVIDYPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(OCCCNc2[nH]ccn2)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(OCCCNc2[nH]ccn2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2 |
