8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane

C14H10ClF4N3O — CID 54054865

IUPAC8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane
SMILESCc1cc(-n2c(=O)c(F)c(F)n3ccnc23)ccc1Cl.FCF
InChIInChI=1S/C13H8ClF2N3O.CH2F2/c1-7-6-8(2-3-9(7)14)19-12(20)10(15)11(16)18-5-4-17-13(18)19;2-1-3/h2-6H,1H3;1H2
InChIKeyLVNHFUHLKXZXLW-UHFFFAOYSA-N
MW347.70 g/mol
LogP3.61
Rot. Bonds1

About 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane

8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane (PubChem CID 54054865) has the molecular formula C14H10ClF4N3O and a molecular weight of 347.70 g/mol. Its IUPAC name is 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane.

Molecular Properties

Compound Name8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane
PubChem CID54054865
Molecular FormulaC14H10ClF4N3O
Molecular Weight347.70 g/mol
Exact Mass347.04
IUPAC Name8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane
SMILESCc1cc(-n2c(=O)c(F)c(F)n3ccnc23)ccc1Cl.FCF
InChIInChI=1S/C13H8ClF2N3O.CH2F2/c1-7-6-8(2-3-9(7)14)19-12(20)10(15)11(16)18-5-4-17-13(18)19;2-1-3/h2-6H,1H3;1H2
InChIKeyLVNHFUHLKXZXLW-UHFFFAOYSA-N
XLogP3.61
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane 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 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane?
The IUPAC name of 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane (CID 54054865) is 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane.
What is the SMILES notation for 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane?
The canonical SMILES for 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane is Cc1cc(-n2c(=O)c(F)c(F)n3ccnc23)ccc1Cl.FCF.
What is the InChIKey of 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane?
The InChIKey is LVNHFUHLKXZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O.CH2F2/c1-7-6-8(2-3-9(7)14)19-12(20)10(15)11(16)18-5-4-17-13(18)19;2-1-3/h2-6H,1H3;1H2.
What are the key properties of 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane?
8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane has a molecular weight of 347.70 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-3-methylphenyl)-5,6-difluoroimidazo[1,2-a]pyrimidin-7-one;difluoromethane is sourced from PubChem (CID 54054865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).