7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one

C12H7Cl2N3O — CID 59312899

IUPAC7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nccn12
InChIInChI=1S/C12H7Cl2N3O/c13-7-1-2-8(9(14)5-7)10-6-11-15-3-4-17(11)12(18)16-10/h1-6H,(H,16,18)
InChIKeyXERUFHXDRXECGS-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.00
Rot. Bonds1

About 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one

7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 59312899) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID59312899
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nccn12
InChIInChI=1S/C12H7Cl2N3O/c13-7-1-2-8(9(14)5-7)10-6-11-15-3-4-17(11)12(18)16-10/h1-6H,(H,16,18)
InChIKeyXERUFHXDRXECGS-UHFFFAOYSA-N
XLogP3.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one (CID 59312899) is 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one is O=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nccn12.
What is the InChIKey of 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is XERUFHXDRXECGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-7-1-2-8(9(14)5-7)10-6-11-15-3-4-17(11)12(18)16-10/h1-6H,(H,16,18).
What are the key properties of 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 280.11 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 59312899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).