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

C17H16BrN3O3 — CID 78426398

IUPACethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C17H16BrN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3
InChIKeyMOHWMOKORLTRGQ-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.80
Rot. Bonds4

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

ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (PubChem CID 78426398) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
PubChem CID78426398
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Nameethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C17H16BrN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3
InChIKeyMOHWMOKORLTRGQ-UHFFFAOYSA-N
XLogP2.80
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (CID 78426398) is ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The InChIKey is MOHWMOKORLTRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-3-24-16(23)10-20-11(2)8-15(22)21-9-14(19-17(20)21)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate has a molecular weight of 390.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is sourced from PubChem (CID 78426398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).