5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one

C23H16F2N2O3 — CID 121308787

IUPAC5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1ccc2c(c1)COC2=O
InChIInChI=1S/C23H16F2N2O3/c1-13-21(14-7-8-16-15(10-14)11-30-23(16)28)27-9-3-6-20(22(27)26-13)29-12-17-18(24)4-2-5-19(17)25/h2-10H,11-12H2,1H3
InChIKeyDNGQTXOPUDFBIF-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.84
Rot. Bonds4

About 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one

5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one (PubChem CID 121308787) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one
PubChem CID121308787
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1ccc2c(c1)COC2=O
InChIInChI=1S/C23H16F2N2O3/c1-13-21(14-7-8-16-15(10-14)11-30-23(16)28)27-9-3-6-20(22(27)26-13)29-12-17-18(24)4-2-5-19(17)25/h2-10H,11-12H2,1H3
InChIKeyDNGQTXOPUDFBIF-UHFFFAOYSA-N
XLogP4.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one (CID 121308787) is 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1-c1ccc2c(c1)COC2=O.
What is the InChIKey of 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one?
The InChIKey is DNGQTXOPUDFBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c1-13-21(14-7-8-16-15(10-14)11-30-23(16)28)27-9-3-6-20(22(27)26-13)29-12-17-18(24)4-2-5-19(17)25/h2-10H,11-12H2,1H3.
What are the key properties of 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one?
5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one has a molecular weight of 406.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 121308787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).