MI2
Summary
| Name: | 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE |
| Formula: | C16 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 249.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2-methylphenyl)-1H-indole-5-carboximidamide |
| OpenEye OEToolkits | 1.5.0 | 2-(2-methylphenyl)-1H-indole-5-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(c1cc2c(cc1)nc(c2)c3ccccc3C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1c2[nH]c3ccc(cc3c2)C(N)=N |
| SMILES | CACTVS | 3.341 | Cc1ccccc1c2[nH]c3ccc(cc3c2)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2c(c1)cc([nH]2)c3ccccc3C)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-9-12-8-11(16(17)18)6-7-14(12)19-15/h2-9,19H,1H3,(H3,17,18) |
| InChIKey | InChI | 1.03 | YOZKTHGEOJHIDP-UHFFFAOYSA-N |
