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

C17H17ClN4O2 — CID 118631146

IUPAC2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H17ClN4O2/c1-3-19-15(23)10-21-11(2)8-16(24)22-9-14(20-17(21)22)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKeyJPFWEZKZEWRVRM-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.26
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide (PubChem CID 118631146) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide
PubChem CID118631146
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H17ClN4O2/c1-3-19-15(23)10-21-11(2)8-16(24)22-9-14(20-17(21)22)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKeyJPFWEZKZEWRVRM-UHFFFAOYSA-N
XLogP2.26
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide (CID 118631146) is 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide is CCNC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide?
The InChIKey is JPFWEZKZEWRVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-3-19-15(23)10-21-11(2)8-16(24)22-9-14(20-17(21)22)12-4-6-13(18)7-5-12/h4-9H,3,10H2,1-2H3,(H,19,23).
What are the key properties of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide?
2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide has a molecular weight of 344.80 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N-ethylacetamide is sourced from PubChem (CID 118631146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).