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

C5H5F3N2O — CID 123871107

IUPAC3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one
SMILESCn1c(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-9-4(10)11/h2H,1H3,(H,9,11)
InChIKeySTHXBQUYFYFLQY-UHFFFAOYSA-N
MW166.10 g/mol
LogP0.73
Rot. Bonds

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

3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one (PubChem CID 123871107) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one
PubChem CID123871107
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one
SMILESCn1c(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-9-4(10)11/h2H,1H3,(H,9,11)
InChIKeySTHXBQUYFYFLQY-UHFFFAOYSA-N
XLogP0.73
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one (CID 123871107) is 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one is Cn1c(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one?
The InChIKey is STHXBQUYFYFLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-9-4(10)11/h2H,1H3,(H,9,11).
What are the key properties of 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one?
3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one has a molecular weight of 166.10 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-1H-imidazol-2-one is sourced from PubChem (CID 123871107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).