7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole

C26H14F6N6 — CID 59500324

IUPAC7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)n1nccc1n2-c1cccc(-n2c3ccc(C(F)(F)F)cc3n3nccc23)c1
InChIInChI=1S/C26H14F6N6/c27-25(28,29)15-4-6-19-21(12-15)37-23(8-10-33-37)35(19)17-2-1-3-18(14-17)36-20-7-5-16(26(30,31)32)13-22(20)38-24(36)9-11-34-38/h1-14H
InChIKeyUDIVPWFPEYKPQY-UHFFFAOYSA-N
MW524.43 g/mol
LogP6.91
Rot. Bonds2

About 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole

7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole (PubChem CID 59500324) has the molecular formula C26H14F6N6 and a molecular weight of 524.43 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole
PubChem CID59500324
Molecular FormulaC26H14F6N6
Molecular Weight524.43 g/mol
Exact Mass524.12
IUPAC Name7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)n1nccc1n2-c1cccc(-n2c3ccc(C(F)(F)F)cc3n3nccc23)c1
InChIInChI=1S/C26H14F6N6/c27-25(28,29)15-4-6-19-21(12-15)37-23(8-10-33-37)35(19)17-2-1-3-18(14-17)36-20-7-5-16(26(30,31)32)13-22(20)38-24(36)9-11-34-38/h1-14H
InChIKeyUDIVPWFPEYKPQY-UHFFFAOYSA-N
XLogP6.91
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.43
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
The IUPAC name of 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole (CID 59500324) is 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole.
What is the SMILES notation for 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
The canonical SMILES for 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole is FC(F)(F)c1ccc2c(c1)n1nccc1n2-c1cccc(-n2c3ccc(C(F)(F)F)cc3n3nccc23)c1.
What is the InChIKey of 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
The InChIKey is UDIVPWFPEYKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N6/c27-25(28,29)15-4-6-19-21(12-15)37-23(8-10-33-37)35(19)17-2-1-3-18(14-17)36-20-7-5-16(26(30,31)32)13-22(20)38-24(36)9-11-34-38/h1-14H.
What are the key properties of 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole?
7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole has a molecular weight of 524.43 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-4-[3-[7-(trifluoromethyl)pyrazolo[1,5-a]benzimidazol-4-yl]phenyl]pyrazolo[1,5-a]benzimidazole is sourced from PubChem (CID 59500324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).