2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one

C15H14ClN3O — CID 118631130

IUPAC2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14ClN3O/c1-3-18-10(2)8-14(20)19-9-13(17-15(18)19)11-4-6-12(16)7-5-11/h4-9H,3H2,1-2H3
InChIKeyPAKWTTKUTKCHMW-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.14
Rot. Bonds2

About 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631130) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631130
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C15H14ClN3O/c1-3-18-10(2)8-14(20)19-9-13(17-15(18)19)11-4-6-12(16)7-5-11/h4-9H,3H2,1-2H3
InChIKeyPAKWTTKUTKCHMW-UHFFFAOYSA-N
XLogP3.14
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631130) is 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one is CCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is PAKWTTKUTKCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-3-18-10(2)8-14(20)19-9-13(17-15(18)19)11-4-6-12(16)7-5-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 287.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-ethyl-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).