2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O2 — CID 116625166

IUPAC2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)n1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-7(2)16-4-3-15(9(16)18)5-8(17)14-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyJXIWCMCFCWTTFZ-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.91
Rot. Bonds4

About 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 116625166) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID116625166
Molecular FormulaC10H14F3N3O2
Molecular Weight265.24 g/mol
Exact Mass265.10
IUPAC Name2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)n1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C10H14F3N3O2/c1-7(2)16-4-3-15(9(16)18)5-8(17)14-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17)
InChIKeyJXIWCMCFCWTTFZ-UHFFFAOYSA-N
XLogP0.91
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-methylpyrazine-2,3-dione
CID 62929603
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-ethylimidazol-2-one
CID 80578792
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-propan-2-ylimidazol-2-one
CID 80579557
1-Propan-2-yl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582363
2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 113219968
2-(3-cyclopropyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113545137
2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575943
N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
CID 115582778
2-[Propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
CID 115605711
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624349
2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624583
2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624874

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 116625166) is 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)n1ccn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JXIWCMCFCWTTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7(2)16-4-3-15(9(16)18)5-8(17)14-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 116625166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).