2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole

C5H7F3N2O2S — CID 141405626

IUPAC2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole
SMILESCC1NC=CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O2S/c1-4-9-2-3-10(4)13(11,12)5(6,7)8/h2-4,9H,1H3
InChIKeyUNTOQZHHRFMCJF-UHFFFAOYSA-N
MW216.18 g/mol
LogP0.56
Rot. Bonds1

About 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole

2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole (PubChem CID 141405626) has the molecular formula C5H7F3N2O2S and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole
PubChem CID141405626
Molecular FormulaC5H7F3N2O2S
Molecular Weight216.18 g/mol
Exact Mass216.02
IUPAC Name2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole
SMILESCC1NC=CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O2S/c1-4-9-2-3-10(4)13(11,12)5(6,7)8/h2-4,9H,1H3
InChIKeyUNTOQZHHRFMCJF-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole?
The IUPAC name of 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole (CID 141405626) is 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole?
The canonical SMILES for 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole is CC1NC=CN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole?
The InChIKey is UNTOQZHHRFMCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2S/c1-4-9-2-3-10(4)13(11,12)5(6,7)8/h2-4,9H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole?
2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole has a molecular weight of 216.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethylsulfonyl)-1,2-dihydroimidazole is sourced from PubChem (CID 141405626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).