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

C16H14ClN3O3 — CID 118631138

IUPACmethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H14ClN3O3/c1-10-7-14(21)20-8-13(11-3-5-12(17)6-4-11)18-16(20)19(10)9-15(22)23-2/h3-8H,9H2,1-2H3
InChIKeyXWYBGCNZVGKOLT-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.30
Rot. Bonds3

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

methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (PubChem CID 118631138) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
PubChem CID118631138
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Namemethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
SMILESCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H14ClN3O3/c1-10-7-14(21)20-8-13(11-3-5-12(17)6-4-11)18-16(20)19(10)9-15(22)23-2/h3-8H,9H2,1-2H3
InChIKeyXWYBGCNZVGKOLT-UHFFFAOYSA-N
XLogP2.30
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate (CID 118631138) is methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is COC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
The InChIKey is XWYBGCNZVGKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-10-7-14(21)20-8-13(11-3-5-12(17)6-4-11)18-16(20)19(10)9-15(22)23-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate?
methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate has a molecular weight of 331.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate is sourced from PubChem (CID 118631138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).