[3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

C22H16F2N2O2 — CID 68640216

IUPAC[3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4ccc5c(c4)CCO5)cn3c2)c1F
InChIInChI=1S/C22H16F2N2O2/c23-18-4-3-16(22(24)17(18)12-27)15-2-6-21-25-19(11-26(21)10-15)13-1-5-20-14(9-13)7-8-28-20/h1-6,9-11,27H,7-8,12H2
InChIKeyMGGZLPDQCDEBLU-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.37
Rot. Bonds3

About [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol

[3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (PubChem CID 68640216) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
PubChem CID68640216
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccc3nc(-c4ccc5c(c4)CCO5)cn3c2)c1F
InChIInChI=1S/C22H16F2N2O2/c23-18-4-3-16(22(24)17(18)12-27)15-2-6-21-25-19(11-26(21)10-15)13-1-5-20-14(9-13)7-8-28-20/h1-6,9-11,27H,7-8,12H2
InChIKeyMGGZLPDQCDEBLU-UHFFFAOYSA-N
XLogP4.37
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
Cis-3-[8-Amino-1-(4-Phenoxyphenyl)imidazo[1,5-A]pyrazin-3-Yl]cyclobutanol
CID 44539087
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
2-[4-[3-(Azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
CID 22390950
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol (CID 68640216) is [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is OCc1c(F)ccc(-c2ccc3nc(-c4ccc5c(c4)CCO5)cn3c2)c1F.
What is the InChIKey of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
The InChIKey is MGGZLPDQCDEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-18-4-3-16(22(24)17(18)12-27)15-2-6-21-25-19(11-26(21)10-15)13-1-5-20-14(9-13)7-8-28-20/h1-6,9-11,27H,7-8,12H2.
What are the key properties of [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol?
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol has a molecular weight of 378.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 68640216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).