[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate

C16H14N2O4 — CID 67286265

IUPAC[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2nc(-c3ccc(OC)cc3)cn2c1
InChIInChI=1S/C16H14N2O4/c1-20-12-5-3-11(4-6-12)14-10-18-9-13(22-16(19)21-2)7-8-15(18)17-14/h3-10H,1-2H3
InChIKeyJBCICTZKIRWFOW-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.16
Rot. Bonds3

About [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate

[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate (PubChem CID 67286265) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
PubChem CID67286265
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2nc(-c3ccc(OC)cc3)cn2c1
InChIInChI=1S/C16H14N2O4/c1-20-12-5-3-11(4-6-12)14-10-18-9-13(22-16(19)21-2)7-8-15(18)17-14/h3-10H,1-2H3
InChIKeyJBCICTZKIRWFOW-UHFFFAOYSA-N
XLogP3.16
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
The IUPAC name of [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate (CID 67286265) is [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate.
What is the SMILES notation for [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
The canonical SMILES for [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate is COC(=O)Oc1ccc2nc(-c3ccc(OC)cc3)cn2c1.
What is the InChIKey of [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
The InChIKey is JBCICTZKIRWFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-20-12-5-3-11(4-6-12)14-10-18-9-13(22-16(19)21-2)7-8-15(18)17-14/h3-10H,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate has a molecular weight of 298.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate is sourced from PubChem (CID 67286265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).