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

C17H16N2O3 — CID 67285844

IUPAC[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2nc(-c3ccc(C)cc3C)cn2c1
InChIInChI=1S/C17H16N2O3/c1-11-4-6-14(12(2)8-11)15-10-19-9-13(22-17(20)21-3)5-7-16(19)18-15/h4-10H,1-3H3
InChIKeyIIUYHBLZCZPITI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.76
Rot. Bonds2

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

[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate (PubChem CID 67285844) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
PubChem CID67285844
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2nc(-c3ccc(C)cc3C)cn2c1
InChIInChI=1S/C17H16N2O3/c1-11-4-6-14(12(2)8-11)15-10-19-9-13(22-17(20)21-3)5-7-16(19)18-15/h4-10H,1-3H3
InChIKeyIIUYHBLZCZPITI-UHFFFAOYSA-N
XLogP3.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
The IUPAC name of [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate (CID 67285844) is [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate.
What is the SMILES notation for [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
The canonical SMILES for [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate is COC(=O)Oc1ccc2nc(-c3ccc(C)cc3C)cn2c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
The InChIKey is IIUYHBLZCZPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-4-6-14(12(2)8-11)15-10-19-9-13(22-17(20)21-3)5-7-16(19)18-15/h4-10H,1-3H3.
What are the key properties of [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate?
[2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate has a molecular weight of 296.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate is sourced from PubChem (CID 67285844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).