4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one

C4H3F3N2O2 — CID 123331094

IUPAC4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)[nH]1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)11-2-1-8-3(10)9-2/h1H,(H2,8,9,10)
InChIKeyWEWQDTSVXMZRIK-UHFFFAOYSA-N
MW168.07 g/mol
LogP0.60
Rot. Bonds1

About 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one

4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one (PubChem CID 123331094) has the molecular formula C4H3F3N2O2 and a molecular weight of 168.07 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one
PubChem CID123331094
Molecular FormulaC4H3F3N2O2
Molecular Weight168.07 g/mol
Exact Mass168.01
IUPAC Name4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)[nH]1
InChIInChI=1S/C4H3F3N2O2/c5-4(6,7)11-2-1-8-3(10)9-2/h1H,(H2,8,9,10)
InChIKeyWEWQDTSVXMZRIK-UHFFFAOYSA-N
XLogP0.60
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethoxy)-1,3-dihydroimidazol-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 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one (CID 123331094) is 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one is O=c1[nH]cc(OC(F)(F)F)[nH]1.
What is the InChIKey of 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one?
The InChIKey is WEWQDTSVXMZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O2/c5-4(6,7)11-2-1-8-3(10)9-2/h1H,(H2,8,9,10).
What are the key properties of 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one?
4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one has a molecular weight of 168.07 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 123331094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).