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

C16H16ClN3O — CID 118631135

IUPAC2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H16ClN3O/c1-3-8-19-11(2)9-15(21)20-10-14(18-16(19)20)12-4-6-13(17)7-5-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyIAVATVOKGBBPNG-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.53
Rot. Bonds3

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

2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631135) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631135
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H16ClN3O/c1-3-8-19-11(2)9-15(21)20-10-14(18-16(19)20)12-4-6-13(17)7-5-12/h4-7,9-10H,3,8H2,1-2H3
InChIKeyIAVATVOKGBBPNG-UHFFFAOYSA-N
XLogP3.53
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one (CID 118631135) is 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one is CCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is IAVATVOKGBBPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-8-19-11(2)9-15(21)20-10-14(18-16(19)20)12-4-6-13(17)7-5-12/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 301.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methyl-8-propylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).