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

C22H14F3N3O2 — CID 23025573

IUPAC6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)Oc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)30-16-7-5-13(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)
InChIKeyQMDQOWFLCQZJBE-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.86
Rot. Bonds4

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

6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23025573) has the molecular formula C22H14F3N3O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23025573
Molecular FormulaC22H14F3N3O2
Molecular Weight409.37 g/mol
Exact Mass409.10
IUPAC Name6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)Oc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)30-16-7-5-13(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)
InChIKeyQMDQOWFLCQZJBE-UHFFFAOYSA-N
XLogP5.86
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine (CID 23025573) is 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)Oc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is QMDQOWFLCQZJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2/c23-22(24,25)30-16-7-5-13(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-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 409.37 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).