6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine

C21H16F3N3 — CID 23025563

IUPAC6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(CCc2nc3ncc(-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H16F3N3/c22-21(23,24)17-9-6-14(7-10-17)8-11-19-26-18-12-16(13-25-20(18)27-19)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2,(H,25,26,27)
InChIKeyZBHOFYKPZHAQRT-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.43
Rot. Bonds4

About 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine

6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23025563) has the molecular formula C21H16F3N3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23025563
Molecular FormulaC21H16F3N3
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(CCc2nc3ncc(-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H16F3N3/c22-21(23,24)17-9-6-14(7-10-17)8-11-19-26-18-12-16(13-25-20(18)27-19)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2,(H,25,26,27)
InChIKeyZBHOFYKPZHAQRT-UHFFFAOYSA-N
XLogP5.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine (CID 23025563) is 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1ccc(CCc2nc3ncc(-c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZBHOFYKPZHAQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3/c22-21(23,24)17-9-6-14(7-10-17)8-11-19-26-18-12-16(13-25-20(18)27-19)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2,(H,25,26,27).
What are the key properties of 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 367.37 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).