II4
Summary
| Name: | 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(3-methylphenyl)-1H-benzimidazol-5-amine |
| OpenEye OEToolkits | 1.6.1 | 1-(3-methylphenyl)benzimidazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1cc(ccc1n(c2)c3cc(ccc3)C)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cccc(c1)n2cnc3cc(N)ccc23 |
| SMILES | CACTVS | 3.352 | Cc1cccc(c1)n2cnc3cc(N)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1cccc(c1)n2cnc3c2ccc(c3)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1cccc(c1)n2cnc3c2ccc(c3)N |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3 |
| InChIKey | InChI | 1.03 | VFSVFGIODYZMOF-UHFFFAOYSA-N |
