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

C14H12ClN3O — CID 78426252

IUPAC2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C
InChIInChI=1S/C14H12ClN3O/c1-9-7-13(19)18-8-12(16-14(18)17(9)2)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyWMFIXXGFSXCMGC-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.66
Rot. Bonds1

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

2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 78426252) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one
PubChem CID78426252
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C
InChIInChI=1S/C14H12ClN3O/c1-9-7-13(19)18-8-12(16-14(18)17(9)2)10-3-5-11(15)6-4-10/h3-8H,1-2H3
InChIKeyWMFIXXGFSXCMGC-UHFFFAOYSA-N
XLogP2.66
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one (CID 78426252) is 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C.
What is the InChIKey of 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WMFIXXGFSXCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-7-13(19)18-8-12(16-14(18)17(9)2)10-3-5-11(15)6-4-10/h3-8H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 273.72 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7,8-dimethylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 78426252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).