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

C22H14F3N3O — CID 23025530

IUPAC6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)16-7-5-13(6-8-16)9-20-27-17-10-15(12-26-21(17)28-20)19-11-14-3-1-2-4-18(14)29-19/h1-8,10-12H,9H2,(H,26,27,28)
InChIKeyNJRYHXFGZZATMO-UHFFFAOYSA-N
MW393.37 g/mol
LogP5.98
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23025530) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23025530
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)16-7-5-13(6-8-16)9-20-27-17-10-15(12-26-21(17)28-20)19-11-14-3-1-2-4-18(14)29-19/h1-8,10-12H,9H2,(H,26,27,28)
InChIKeyNJRYHXFGZZATMO-UHFFFAOYSA-N
XLogP5.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine (CID 23025530) is 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is NJRYHXFGZZATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-22(24,25)16-7-5-13(6-8-16)9-20-27-17-10-15(12-26-21(17)28-20)19-11-14-3-1-2-4-18(14)29-19/h1-8,10-12H,9H2,(H,26,27,28).
What are the key properties of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 393.37 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).