T8Z
Summary
| Name: | 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole |
| Synonyms: | 2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-1~{H}-benzimidazole |
| Formula: | C20 H21 N7 |
| Formal charge: | 0 |
| Formula weight: | 359.428 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(3-methyl-1,2,3-triazol-4-yl)-6-[[(2~{S})-2-pyridin-4-ylpyrrolidin-1-yl]methyl]-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H21N7/c1-26-19(12-22-25-26)20-23-16-5-4-14(11-17(16)24-20)13-27-10-2-3-18(27)15-6-8-21-9-7-15/h4-9,11-12,18H,2-3,10,13H2,1H3,(H,23,24)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | IEEIOQSIZMWGTQ-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nncc1c2[nH]c3cc(CN4CCC[C@H]4c5ccncc5)ccc3n2 |
| SMILES | CACTVS | 3.385 | Cn1nncc1c2[nH]c3cc(CN4CCC[CH]4c5ccncc5)ccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCC[C@H]4c5ccncc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(cnn1)c2[nH]c3cc(ccc3n2)CN4CCCC4c5ccncc5 |
