3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one

C5H5F3N2O2 — CID 123572287

IUPAC3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one
SMILESCn1c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C5H5F3N2O2/c1-10-3(2-9-4(10)11)12-5(6,7)8/h2H,1H3,(H,9,11)
InChIKeyXJBLNRVLWPGPAV-UHFFFAOYSA-N
MW182.10 g/mol
LogP0.61
Rot. Bonds1

About 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one

3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one (PubChem CID 123572287) has the molecular formula C5H5F3N2O2 and a molecular weight of 182.10 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one
PubChem CID123572287
Molecular FormulaC5H5F3N2O2
Molecular Weight182.10 g/mol
Exact Mass182.03
IUPAC Name3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one
SMILESCn1c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C5H5F3N2O2/c1-10-3(2-9-4(10)11)12-5(6,7)8/h2H,1H3,(H,9,11)
InChIKeyXJBLNRVLWPGPAV-UHFFFAOYSA-N
XLogP0.61
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Trifluoromethoxy)-1,3-dihydroimidazol-2-one
CID 123331094
3-Methyl-5-(trifluoromethoxy)-1,2-dihydroimidazole
CID 123420180
3-methyl-5-(trifluoromethoxy)-1H-imidazol-2-one
CID 123643591
3-(difluoromethyl)-1H-imidazol-2-one
CID 167615880
3-Methyl-4-(trifluoromethoxy)-1,2-dihydroimidazole
CID 173057070
4-methoxy-3,3-dimethyl-1H-imidazol-3-ium-2-one
CID 69577330
4-methoxy-3-methyl-1H-imidazol-2-one
CID 123573480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one?
The IUPAC name of 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one (CID 123572287) is 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one is Cn1c(OC(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one?
The InChIKey is XJBLNRVLWPGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2/c1-10-3(2-9-4(10)11)12-5(6,7)8/h2H,1H3,(H,9,11).
What are the key properties of 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one?
3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one has a molecular weight of 182.10 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethoxy)-1H-imidazol-2-one is sourced from PubChem (CID 123572287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).