ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate

C18H19N3O4 — CID 78426253

IUPACethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(OC)cc3)nc12
InChIInChI=1S/C18H19N3O4/c1-4-25-17(23)11-20-12(2)9-16(22)21-10-15(19-18(20)21)13-5-7-14(24-3)8-6-13/h5-10H,4,11H2,1-3H3
InChIKeyZCTLZZNVDCBWGA-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.04
Rot. Bonds5

About ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate

ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (PubChem CID 78426253) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
PubChem CID78426253
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(OC)cc3)nc12
InChIInChI=1S/C18H19N3O4/c1-4-25-17(23)11-20-12(2)9-16(22)21-10-15(19-18(20)21)13-5-7-14(24-3)8-6-13/h5-10H,4,11H2,1-3H3
InChIKeyZCTLZZNVDCBWGA-UHFFFAOYSA-N
XLogP2.04
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (CID 78426253) is ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(OC)cc3)nc12.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The InChIKey is ZCTLZZNVDCBWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-25-17(23)11-20-12(2)9-16(22)21-10-15(19-18(20)21)13-5-7-14(24-3)8-6-13/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate has a molecular weight of 341.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is sourced from PubChem (CID 78426253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).