2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H10F3N3O2 — CID 116624583

IUPAC2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O2/c1-13-2-3-14(7(13)16)4-6(15)12-5-8(9,10)11/h2-3H,4-5H2,1H3,(H,12,15)
InChIKeyOTKINNHXLNDXKZ-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.13
Rot. Bonds3

About 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 116624583) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID116624583
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1ccn(CC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C8H10F3N3O2/c1-13-2-3-14(7(13)16)4-6(15)12-5-8(9,10)11/h2-3H,4-5H2,1H3,(H,12,15)
InChIKeyOTKINNHXLNDXKZ-UHFFFAOYSA-N
XLogP-0.13
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-ethyl-2,3-dihydropyrazine-1-carboxamide
CID 146035530
1-Methyl-4-[2-(2,2,2-trifluoroethylamino)ethyl]pyrazine-2,3-dione
CID 62928749
1-Methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582401
1-Ethyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582421
2-(3-cyclopropyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113545137
N-ethyl-2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
CID 115575923
2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide
CID 115605721
N-ethyl-2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
CID 115605725
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624349
2-(2-oxo-3-propylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116624874
2-(2-oxo-3-propan-2-ylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116625166
N,N-diethyl-2-(1-methyl-1,2-dihydroimidazol-1-ium-3-yl)acetamide bromide
CID 67523534

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 116624583) is 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cn1ccn(CC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OTKINNHXLNDXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-13-2-3-14(7(13)16)4-6(15)12-5-8(9,10)11/h2-3H,4-5H2,1H3,(H,12,15).
What are the key properties of 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 237.18 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 116624583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).