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

C19H14F3N3O — CID 23025687

IUPAC6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)14-6-3-12(4-7-14)5-8-17-24-15-10-13(11-23-18(15)25-17)16-2-1-9-26-16/h1-4,6-7,9-11H,5,8H2,(H,23,24,25)
InChIKeyAWFLMESUGIZUTR-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.02
Rot. Bonds4

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

6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23025687) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23025687
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1
InChIInChI=1S/C19H14F3N3O/c20-19(21,22)14-6-3-12(4-7-14)5-8-17-24-15-10-13(11-23-18(15)25-17)16-2-1-9-26-16/h1-4,6-7,9-11H,5,8H2,(H,23,24,25)
InChIKeyAWFLMESUGIZUTR-UHFFFAOYSA-N
XLogP5.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine (CID 23025687) is 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1.
What is the InChIKey of 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is AWFLMESUGIZUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c20-19(21,22)14-6-3-12(4-7-14)5-8-17-24-15-10-13(11-23-18(15)25-17)16-2-1-9-26-16/h1-4,6-7,9-11H,5,8H2,(H,23,24,25).
What are the key properties of 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine?
6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 357.34 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).