methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate

C16H14N2O3 — CID 67287066

IUPACmethyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate
SMILESCOC(=O)Oc1cc(-c2ccc(C)cc2)c2nccn2c1
InChIInChI=1S/C16H14N2O3/c1-11-3-5-12(6-4-11)14-9-13(21-16(19)20-2)10-18-8-7-17-15(14)18/h3-10H,1-2H3
InChIKeyUVUBGNFZGYECDS-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.45
Rot. Bonds2

About methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate

methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate (PubChem CID 67287066) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate.

Molecular Properties

Compound Namemethyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate
PubChem CID67287066
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate
SMILESCOC(=O)Oc1cc(-c2ccc(C)cc2)c2nccn2c1
InChIInChI=1S/C16H14N2O3/c1-11-3-5-12(6-4-11)14-9-13(21-16(19)20-2)10-18-8-7-17-15(14)18/h3-10H,1-2H3
InChIKeyUVUBGNFZGYECDS-UHFFFAOYSA-N
XLogP3.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate?
The IUPAC name of methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate (CID 67287066) is methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate.
What is the SMILES notation for methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate?
The canonical SMILES for methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate is COC(=O)Oc1cc(-c2ccc(C)cc2)c2nccn2c1.
What is the InChIKey of methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate?
The InChIKey is UVUBGNFZGYECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-3-5-12(6-4-11)14-9-13(21-16(19)20-2)10-18-8-7-17-15(14)18/h3-10H,1-2H3.
What are the key properties of methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate?
methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate has a molecular weight of 282.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [8-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl] carbonate is sourced from PubChem (CID 67287066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).