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

C19H22ClN3O — CID 118631137

IUPAC2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H22ClN3O/c1-3-4-5-6-11-22-14(2)12-18(24)23-13-17(21-19(22)23)15-7-9-16(20)10-8-15/h7-10,12-13H,3-6,11H2,1-2H3
InChIKeyOWTFSGLQJCWBNH-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.71
Rot. Bonds6

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

2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631137) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631137
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H22ClN3O/c1-3-4-5-6-11-22-14(2)12-18(24)23-13-17(21-19(22)23)15-7-9-16(20)10-8-15/h7-10,12-13H,3-6,11H2,1-2H3
InChIKeyOWTFSGLQJCWBNH-UHFFFAOYSA-N
XLogP4.71
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631137) is 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one is CCCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is OWTFSGLQJCWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-3-4-5-6-11-22-14(2)12-18(24)23-13-17(21-19(22)23)15-7-9-16(20)10-8-15/h7-10,12-13H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 343.86 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).