Y0B
Summary
| Name: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol |
| Formula: | C18 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 311.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol |
| OpenEye OEToolkits | 2.0.7 | 2-methoxy-6-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cccc(CNc2nc3ccccc3n2CCC)c1O |
| InChI | InChI | 1.06 | InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20) |
| InChIKey | InChI | 1.06 | PIPSFOMKWXEBPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1c(NCc2cccc(OC)c2O)nc3ccccc13 |
| SMILES | CACTVS | 3.385 | CCCn1c(NCc2cccc(OC)c2O)nc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1c2ccccc2nc1NCc3cccc(c3O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1c2ccccc2nc1NCc3cccc(c3O)OC |
