1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

C16H11F4N3O2 — CID 102104200

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2n1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F4N3O2/c1-9-7-23-14(25)6-13(16(18,19)20)21-15(23)22(9)8-12(24)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyRGQJICLNPVLYTO-UHFFFAOYSA-N
MW353.28 g/mol
LogP2.85
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 102104200) has the molecular formula C16H11F4N3O2 and a molecular weight of 353.28 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID102104200
Molecular FormulaC16H11F4N3O2
Molecular Weight353.28 g/mol
Exact Mass353.08
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2n1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F4N3O2/c1-9-7-23-14(25)6-13(16(18,19)20)21-15(23)22(9)8-12(24)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKeyRGQJICLNPVLYTO-UHFFFAOYSA-N
XLogP2.85
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (CID 102104200) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(C(F)(F)F)nc2n1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is RGQJICLNPVLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2/c1-9-7-23-14(25)6-13(16(18,19)20)21-15(23)22(9)8-12(24)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 353.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 102104200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).