7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one

C23H22ClN3O2 — CID 144837749

IUPAC7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(-c2cccc(O)c2)cn2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H22ClN3O2/c1-2-3-4-12-26-21(17-6-5-7-19(28)13-17)15-27-22(29)14-20(25-23(26)27)16-8-10-18(24)11-9-16/h5-11,13-15,28H,2-4,12H2,1H3
InChIKeyRUFBOORYYKQPLZ-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.38
Rot. Bonds6

About 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one

7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 144837749) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one
PubChem CID144837749
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCn1c(-c2cccc(O)c2)cn2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C23H22ClN3O2/c1-2-3-4-12-26-21(17-6-5-7-19(28)13-17)15-27-22(29)14-20(25-23(26)27)16-8-10-18(24)11-9-16/h5-11,13-15,28H,2-4,12H2,1H3
InChIKeyRUFBOORYYKQPLZ-UHFFFAOYSA-N
XLogP5.38
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.38
H-Bond Donors ≤ 51
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 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one (CID 144837749) is 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(-c2cccc(O)c2)cn2c(=O)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is RUFBOORYYKQPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-2-3-4-12-26-21(17-6-5-7-19(28)13-17)15-27-22(29)14-20(25-23(26)27)16-8-10-18(24)11-9-16/h5-11,13-15,28H,2-4,12H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one?
7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 407.90 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(3-hydroxyphenyl)-1-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 144837749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).