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

C21H17ClFN3O — CID 118631210

IUPAC2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C(C)c1cccc(F)c1
InChIInChI=1S/C21H17ClFN3O/c1-13-10-20(27)25-12-19(15-6-8-17(22)9-7-15)24-21(25)26(13)14(2)16-4-3-5-18(23)11-16/h3-12,14H,1-2H3
InChIKeyWGIILVHEIIXNRM-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.87
Rot. Bonds3

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

2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631210) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631210
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C(C)c1cccc(F)c1
InChIInChI=1S/C21H17ClFN3O/c1-13-10-20(27)25-12-19(15-6-8-17(22)9-7-15)24-21(25)26(13)14(2)16-4-3-5-18(23)11-16/h3-12,14H,1-2H3
InChIKeyWGIILVHEIIXNRM-UHFFFAOYSA-N
XLogP4.87
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.87
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-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631210) is 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C(C)c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WGIILVHEIIXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c1-13-10-20(27)25-12-19(15-6-8-17(22)9-7-15)24-21(25)26(13)14(2)16-4-3-5-18(23)11-16/h3-12,14H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 381.84 g/mol, XLogP of 4.87, 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-[1-(3-fluorophenyl)ethyl]-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).