2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one

C20H15ClFN3O — CID 118631230

IUPAC2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1cccc(F)c1
InChIInChI=1S/C20H15ClFN3O/c1-13-9-19(26)25-12-18(15-5-7-16(21)8-6-15)23-20(25)24(13)11-14-3-2-4-17(22)10-14/h2-10,12H,11H2,1H3
InChIKeyOWKRFLGLUXJGCQ-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.31
Rot. Bonds3

About 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631230) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631230
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1cccc(F)c1
InChIInChI=1S/C20H15ClFN3O/c1-13-9-19(26)25-12-18(15-5-7-16(21)8-6-15)23-20(25)24(13)11-14-3-2-4-17(22)10-14/h2-10,12H,11H2,1H3
InChIKeyOWKRFLGLUXJGCQ-UHFFFAOYSA-N
XLogP4.31
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631230) is 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1Cc1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is OWKRFLGLUXJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c1-13-9-19(26)25-12-18(15-5-7-16(21)8-6-15)23-20(25)24(13)11-14-3-2-4-17(22)10-14/h2-10,12H,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 367.81 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).