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

C16H12F3N3O2 — CID 144837802

IUPAC2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2n1CC(=O)c1ccccc1
InChIInChI=1S/C16H12F3N3O2/c1-10-8-22-14(24)7-13(16(17,18)19)20-15(22)21(10)9-12(23)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyQRCXRHQUGATTBC-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.71
Rot. Bonds3

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

2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 144837802) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID144837802
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2n1CC(=O)c1ccccc1
InChIInChI=1S/C16H12F3N3O2/c1-10-8-22-14(24)7-13(16(17,18)19)20-15(22)21(10)9-12(23)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyQRCXRHQUGATTBC-UHFFFAOYSA-N
XLogP2.71
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (CID 144837802) is 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(C(F)(F)F)nc2n1CC(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QRCXRHQUGATTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-10-8-22-14(24)7-13(16(17,18)19)20-15(22)21(10)9-12(23)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 335.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 144837802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).