A1BGW
Summary
| Name: | 4-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-5-carboxamide |
| Formula: | C15 H22 N6 O |
| Formal charge: | 0 |
| Formula weight: | 302.375 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-~{N}-[(2-methyl-1~{H}-imidazol-4-yl)methyl]-2-[(3~{S})-piperidin-3-yl]-1~{H}-imidazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1[NH]cc(n1)CNC(=O)c1[NH]c(nc1C)C1CCCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H22N6O/c1-9-13(15(22)18-8-12-7-17-10(2)20-12)21-14(19-9)11-4-3-5-16-6-11/h7,11,16H,3-6,8H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | ZVEYJTBRDUORTQ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]cc(CNC(=O)c2[nH]c(nc2C)[C@H]3CCCNC3)n1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]cc(CNC(=O)c2[nH]c(nc2C)[CH]3CCCNC3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c([nH]c(n1)[C@H]2CCCNC2)C(=O)NCc3c[nH]c(n3)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c([nH]c(n1)C2CCCNC2)C(=O)NCc3c[nH]c(n3)C |
