4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole

C33H20F6N6 — CID 59500326

IUPAC4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3n3nccc23)cc1)(c1ccc(-n2c3ccccc3n3nccc23)cc1)C(F)(F)F
InChIInChI=1S/C33H20F6N6/c34-32(35,36)31(33(37,38)39,21-9-13-23(14-10-21)42-25-5-1-3-7-27(25)44-29(42)17-19-40-44)22-11-15-24(16-12-22)43-26-6-2-4-8-28(26)45-30(43)18-20-41-45/h1-20H
InChIKeyFWRZEKYGNPLYFL-UHFFFAOYSA-N
MW614.55 g/mol
LogP8.28
Rot. Bonds4

About 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole

4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole (PubChem CID 59500326) has the molecular formula C33H20F6N6 and a molecular weight of 614.55 g/mol. Its IUPAC name is 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole
PubChem CID59500326
Molecular FormulaC33H20F6N6
Molecular Weight614.55 g/mol
Exact Mass614.17
IUPAC Name4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole
SMILESFC(F)(F)C(c1ccc(-n2c3ccccc3n3nccc23)cc1)(c1ccc(-n2c3ccccc3n3nccc23)cc1)C(F)(F)F
InChIInChI=1S/C33H20F6N6/c34-32(35,36)31(33(37,38)39,21-9-13-23(14-10-21)42-25-5-1-3-7-27(25)44-29(42)17-19-40-44)22-11-15-24(16-12-22)43-26-6-2-4-8-28(26)45-30(43)18-20-41-45/h1-20H
InChIKeyFWRZEKYGNPLYFL-UHFFFAOYSA-N
XLogP8.28
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.55
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
The IUPAC name of 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole (CID 59500326) is 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole.
What is the SMILES notation for 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
The canonical SMILES for 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole is FC(F)(F)C(c1ccc(-n2c3ccccc3n3nccc23)cc1)(c1ccc(-n2c3ccccc3n3nccc23)cc1)C(F)(F)F.
What is the InChIKey of 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
The InChIKey is FWRZEKYGNPLYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F6N6/c34-32(35,36)31(33(37,38)39,21-9-13-23(14-10-21)42-25-5-1-3-7-27(25)44-29(42)17-19-40-44)22-11-15-24(16-12-22)43-26-6-2-4-8-28(26)45-30(43)18-20-41-45/h1-20H.
What are the key properties of 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole has a molecular weight of 614.55 g/mol, XLogP of 8.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrazolo[1,5-a]benzimidazol-4-ylphenyl)propan-2-yl]phenyl]pyrazolo[1,5-a]benzimidazole is sourced from PubChem (CID 59500326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).