T1J
Summary
| Name: | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol |
| Formula: | C14 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 239.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol |
| OpenEye OEToolkits | 2.0.7 | 2-[(1~{H}-benzimidazol-2-ylamino)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(NCc1c(O)cccc1)nc2ccccc2n3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | OCDMDLRMBVJKCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1CNc2[nH]c3ccccc3n2 |
| SMILES | CACTVS | 3.385 | Oc1ccccc1CNc2[nH]c3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2[nH]c3ccccc3n2)O |
