8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one

C13H8Cl2FN3O — CID 54192117

IUPAC8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one
SMILESCc1cc(-n2c(=O)cc(F)n3ccnc23)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FN3O/c1-7-4-10(9(15)5-8(7)14)19-12(20)6-11(16)18-3-2-17-13(18)19/h2-6H,1H3
InChIKeyKYDZIRWZOJTDKH-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.24
Rot. Bonds1

About 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one

8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one (PubChem CID 54192117) has the molecular formula C13H8Cl2FN3O and a molecular weight of 312.13 g/mol. Its IUPAC name is 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one
PubChem CID54192117
Molecular FormulaC13H8Cl2FN3O
Molecular Weight312.13 g/mol
Exact Mass311.00
IUPAC Name8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one
SMILESCc1cc(-n2c(=O)cc(F)n3ccnc23)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FN3O/c1-7-4-10(9(15)5-8(7)14)19-12(20)6-11(16)18-3-2-17-13(18)19/h2-6H,1H3
InChIKeyKYDZIRWZOJTDKH-UHFFFAOYSA-N
XLogP3.24
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one (CID 54192117) is 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one is Cc1cc(-n2c(=O)cc(F)n3ccnc23)c(Cl)cc1Cl.
What is the InChIKey of 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one?
The InChIKey is KYDZIRWZOJTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN3O/c1-7-4-10(9(15)5-8(7)14)19-12(20)6-11(16)18-3-2-17-13(18)19/h2-6H,1H3.
What are the key properties of 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one?
8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one has a molecular weight of 312.13 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichloro-5-methylphenyl)-5-fluoroimidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 54192117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).