About 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole
2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole (PubChem CID 59500329) has the molecular formula C32H18F6N6
and a molecular weight of 600.53 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole.
Molecular Properties
| Compound Name | 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole |
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| PubChem CID | 59500329 |
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| Molecular Formula | C32H18F6N6 |
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| Molecular Weight | 600.53 g/mol |
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| Exact Mass | 600.15 |
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| IUPAC Name | 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole |
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| SMILES | FC(F)(F)c1cc2n(-c3ccc(-c4ccc(-n5c6ccccc6n6nc(C(F)(F)F)cc56)cc4)cc3)c3ccccc3n2n1 |
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| InChI | InChI=1S/C32H18F6N6/c33-31(34,35)27-17-29-41(23-5-1-3-7-25(23)43(29)39-27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)42-24-6-2-4-8-26(24)44-30(42)18-28(40-44)32(36,37)38/h1-18H |
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| InChIKey | MGROVELOZKYLBC-UHFFFAOYSA-N |
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| XLogP | 8.57 |
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| TPSA | 44.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 600.53 |
| LogP ≤ 5 | 8.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole?
The IUPAC name of 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole (CID 59500329) is 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole.
What is the SMILES notation for 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole?
The canonical SMILES for 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole is FC(F)(F)c1cc2n(-c3ccc(-c4ccc(-n5c6ccccc6n6nc(C(F)(F)F)cc56)cc4)cc3)c3ccccc3n2n1.
What is the InChIKey of 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole?
The InChIKey is MGROVELOZKYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F6N6/c33-31(34,35)27-17-29-41(23-5-1-3-7-25(23)43(29)39-27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)42-24-6-2-4-8-26(24)44-30(42)18-28(40-44)32(36,37)38/h1-18H.
What are the key properties of 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole?
2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole has a molecular weight of 600.53 g/mol, XLogP of 8.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[4-[4-[2-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]phenyl]pyrazolo[1,5-a]benzimidazole is sourced from PubChem (CID 59500329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).