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

C17H18ClN3O — CID 118631129

IUPAC8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H18ClN3O/c1-3-4-9-20-12(2)10-16(22)21-11-15(19-17(20)21)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyWKHLXYQNODPLCL-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.92
Rot. Bonds4

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

8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631129) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631129
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H18ClN3O/c1-3-4-9-20-12(2)10-16(22)21-11-15(19-17(20)21)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyWKHLXYQNODPLCL-UHFFFAOYSA-N
XLogP3.92
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631129) is 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one is CCCCn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WKHLXYQNODPLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-3-4-9-20-12(2)10-16(22)21-11-15(19-17(20)21)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one?
8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 315.80 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).