EX7
Summary
| Name: | 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol |
| Synonyms: | 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol |
| Formula: | C15 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 272.73 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol |
| OpenEye OEToolkits | 2.0.6 | 2-[2-(3-chlorophenyl)ethyl]-3~{H}-benzimidazol-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18) |
| InChIKey | InChI | 1.03 | OTJBWWCEPHZWEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc2nc(CCc3cccc(Cl)c3)[nH]c12 |
| SMILES | CACTVS | 3.385 | Oc1cccc2nc(CCc3cccc(Cl)c3)[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O |
