5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one

C7H9F3N2O2 — CID 175770775

IUPAC5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one
SMILESCc1cn(CC(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H9F3N2O2/c1-4-2-12(6(14)11-4)3-5(13)7(8,9)10/h2,5,13H,3H2,1H3,(H,11,14)
InChIKeyHPDZSPAALCZDEX-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.41
Rot. Bonds2

About 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one

5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one (PubChem CID 175770775) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one
PubChem CID175770775
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one
SMILESCc1cn(CC(O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H9F3N2O2/c1-4-2-12(6(14)11-4)3-5(13)7(8,9)10/h2,5,13H,3H2,1H3,(H,11,14)
InChIKeyHPDZSPAALCZDEX-UHFFFAOYSA-N
XLogP0.41
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one?
The IUPAC name of 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one (CID 175770775) is 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one is Cc1cn(CC(O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one?
The InChIKey is HPDZSPAALCZDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-4-2-12(6(14)11-4)3-5(13)7(8,9)10/h2,5,13H,3H2,1H3,(H,11,14).
What are the key properties of 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one?
5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one has a molecular weight of 210.15 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-1H-imidazol-2-one is sourced from PubChem (CID 175770775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).