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

C23H28ClN3O2 — CID 155546566

IUPAC2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCCCCC(=O)n1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H28ClN3O2/c1-3-4-5-6-7-8-9-10-21(28)27-17(2)15-22(29)26-16-20(25-23(26)27)18-11-13-19(24)14-12-18/h11-16H,3-10H2,1-2H3
InChIKeyCROYNLDZXTZRQQ-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.91
Rot. Bonds9

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

2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 155546566) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID155546566
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCCCCC(=O)n1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H28ClN3O2/c1-3-4-5-6-7-8-9-10-21(28)27-17(2)15-22(29)26-16-20(25-23(26)27)18-11-13-19(24)14-12-18/h11-16H,3-10H2,1-2H3
InChIKeyCROYNLDZXTZRQQ-UHFFFAOYSA-N
XLogP5.91
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 155546566) is 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one is CCCCCCCCCC(=O)n1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is CROYNLDZXTZRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-3-4-5-6-7-8-9-10-21(28)27-17(2)15-22(29)26-16-20(25-23(26)27)18-11-13-19(24)14-12-18/h11-16H,3-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 413.95 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-decanoyl-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 155546566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).