A1IGH
Summary
| Name: | 2-[4-[1-(3-bromanyl-4-methyl-phenyl)benzimidazol-2-yl]phenoxy]ethanol |
| Formula: | C22 H19 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 423.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[1-(3-bromanyl-4-methyl-phenyl)benzimidazol-2-yl]phenoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H19BrN2O2/c1-15-6-9-17(14-19(15)23)25-21-5-3-2-4-20(21)24-22(25)16-7-10-18(11-8-16)27-13-12-26/h2-11,14,26H,12-13H2,1H3 |
| InChIKey | InChI | 1.06 | ASLBIRURTVYUDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Br)n2c3ccccc3nc2c4ccc(OCCO)cc4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Br)n2c3ccccc3nc2c4ccc(OCCO)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Br)n2c3ccccc3nc2c4ccc(cc4)OCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Br)n2c3ccccc3nc2c4ccc(cc4)OCCO |
