2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole
C146H143N43O — CID 159466857
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole (PubChem CID 159466857) has the molecular formula C146H143N43O and a molecular weight of 2516.05 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole.
Molecular Properties
| Compound Name | 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole |
|---|---|
| PubChem CID | 159466857 |
| Molecular Formula | C146H143N43O |
| Molecular Weight | 2516.05 g/mol |
| Exact Mass | 2514.25 |
| IUPAC Name | 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,4-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3,5-dimethylbenzo[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-6H-cyclopenta[e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylfuro[2,3-e]benzimidazole;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-(8-ethyl-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole |
| SMILES | CCc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.CCc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)nc12.Cc1cc2c(nc(CCc3nc4c(C)ncc(C)n4n3)n2C)c2ccccc12.Cc1cc2ccccc2c2nc(CCc3nc4c(C)ncc(C)n4n3)n(C)c12.Cc1cnc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)nc12.Cc1ncc(C)n2nc(CCc3nc4c5c(ccc4n3C)CC=C5)nc12.Cc1ncc(C)n2nc(CCc3nc4c5occc5ccc4n3C)nc12 |
| InChI | InChI=1S/3C22H22N6.C21H20N6.C20H19N7.C20H20N6.C19H18N6O/c1-13-11-18-21(17-8-6-5-7-16(13)17)25-20(27(18)4)10-9-19-24-22-15(3)23-12-14(2)28(22)26-19;1-13-11-16-7-5-6-8-17(16)20-21(13)27(4)19(25-20)10-9-18-24-22-15(3)23-12-14(2)28(22)26-18;1-4-15-13-23-14(2)28-22(15)24-19(26-28)11-12-20-25-21-17-8-6-5-7-16(17)9-10-18(21)27(20)3;1-13-12-22-14(2)27-21(13)23-18(25-27)10-11-19-24-20-16-7-5-4-6-15(16)8-9-17(20)26(19)3;1-3-16-20-23-18(25-27(20)13(2)12-21-16)9-8-17-22-19-15-7-5-4-6-14(15)10-11-26(19)24-17;1-12-11-21-13(2)20-22-17(24-26(12)20)9-10-18-23-19-15-6-4-5-14(15)7-8-16(19)25(18)3;1-11-10-20-12(2)19-21-15(23-25(11)19)6-7-16-22-17-14(24(16)3)5-4-13-8-9-26-18(13)17/h2*5-8,11-12H,9-10H2,1-4H3;5-10,13H,4,11-12H2,1-3H3;4-9,12H,10-11H2,1-3H3;4-7,10-12H,3,8-9H2,1-2H3;4,6-8,11H,5,9-10H2,1-3H3;4-5,8-10H,6-7H2,1-3H3 |
| InChIKey | LVHHRSJKOIYHKT-UHFFFAOYSA-N |
| XLogP | 24.25 |
| TPSA | 451.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 190 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2516.05 |
| LogP ≤ 5 | 24.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |
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Sources
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