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

C17H16ClN3O2 — CID 118631149

IUPAC2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCCC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H16ClN3O2/c1-3-14(22)9-20-11(2)8-16(23)21-10-15(19-17(20)21)12-4-6-13(18)7-5-12/h4-8,10H,3,9H2,1-2H3
InChIKeyQBSOIHDPADWAPB-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.10
Rot. Bonds4

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

2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631149) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID118631149
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCCC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H16ClN3O2/c1-3-14(22)9-20-11(2)8-16(23)21-10-15(19-17(20)21)12-4-6-13(18)7-5-12/h4-8,10H,3,9H2,1-2H3
InChIKeyQBSOIHDPADWAPB-UHFFFAOYSA-N
XLogP3.10
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one (CID 118631149) is 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one is CCC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QBSOIHDPADWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-14(22)9-20-11(2)8-16(23)21-10-15(19-17(20)21)12-4-6-13(18)7-5-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 329.79 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methyl-8-(2-oxobutyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).