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

C21H13F2N3O — CID 23025712

IUPAC6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c(F)c1
InChIInChI=1S/C21H13F2N3O/c22-15-6-5-12(16(23)10-15)9-20-25-17-7-14(11-24-21(17)26-20)19-8-13-3-1-2-4-18(13)27-19/h1-8,10-11H,9H2,(H,24,25,26)
InChIKeyLTAGUKGURAVCGX-UHFFFAOYSA-N
MW361.35 g/mol
LogP5.24
Rot. Bonds3

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

6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 23025712) has the molecular formula C21H13F2N3O and a molecular weight of 361.35 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID23025712
Molecular FormulaC21H13F2N3O
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESFc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c(F)c1
InChIInChI=1S/C21H13F2N3O/c22-15-6-5-12(16(23)10-15)9-20-25-17-7-14(11-24-21(17)26-20)19-8-13-3-1-2-4-18(13)27-19/h1-8,10-11H,9H2,(H,24,25,26)
InChIKeyLTAGUKGURAVCGX-UHFFFAOYSA-N
XLogP5.24
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.35
LogP ≤ 55.24
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-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine (CID 23025712) is 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine is Fc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c(F)c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LTAGUKGURAVCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O/c22-15-6-5-12(16(23)10-15)9-20-25-17-7-14(11-24-21(17)26-20)19-8-13-3-1-2-4-18(13)27-19/h1-8,10-11H,9H2,(H,24,25,26).
What are the key properties of 6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine?
6-(1-benzofuran-2-yl)-2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 361.35 g/mol, XLogP of 5.24, 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-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).