[3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

C22H14F2N2O2 — CID 68639992

IUPAC[3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4cc5ccccc5o4)cn3c2)c1F
InChIInChI=1S/C22H14F2N2O2/c23-17-7-6-15(22(24)16(17)12-27)14-5-8-21-25-18(11-26(21)10-14)20-9-13-3-1-2-4-19(13)28-20/h1-11,27H,12H2
InChIKeyFGLRQSKXLHRDJV-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.18
Rot. Bonds3

About [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

[3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (PubChem CID 68639992) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
PubChem CID68639992
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name[3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4cc5ccccc5o4)cn3c2)c1F
InChIInChI=1S/C22H14F2N2O2/c23-17-7-6-15(22(24)16(17)12-27)14-5-8-21-25-18(11-26(21)10-14)20-9-13-3-1-2-4-19(13)28-20/h1-11,27H,12H2
InChIKeyFGLRQSKXLHRDJV-UHFFFAOYSA-N
XLogP5.18
TPSA50.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (CID 68639992) is [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is OCc1c(F)ccc(-c2ccc3nc(-c4cc5ccccc5o4)cn3c2)c1F.
What is the InChIKey of [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The InChIKey is FGLRQSKXLHRDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-17-7-6-15(22(24)16(17)12-27)14-5-8-21-25-18(11-26(21)10-14)20-9-13-3-1-2-4-19(13)28-20/h1-11,27H,12H2.
What are the key properties of [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
[3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol has a molecular weight of 376.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 68639992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).