1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide

C7H12F3N3O2S — CID 174794926

IUPAC1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide
SMILESC=CN1C=CN(C)C1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10N2.CH2F3NO2S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h3-5H,1,6H2,2H3;(H2,5,6,7)
InChIKeyHLEWYJGHIHAPCB-UHFFFAOYSA-N
MW259.25 g/mol
LogP0.60
Rot. Bonds1

About 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide

1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide (PubChem CID 174794926) has the molecular formula C7H12F3N3O2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide.

Molecular Properties

Compound Name1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide
PubChem CID174794926
Molecular FormulaC7H12F3N3O2S
Molecular Weight259.25 g/mol
Exact Mass259.06
IUPAC Name1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide
SMILESC=CN1C=CN(C)C1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10N2.CH2F3NO2S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h3-5H,1,6H2,2H3;(H2,5,6,7)
InChIKeyHLEWYJGHIHAPCB-UHFFFAOYSA-N
XLogP0.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide 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 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide?
The IUPAC name of 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide (CID 174794926) is 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide.
What is the SMILES notation for 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide?
The canonical SMILES for 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide is C=CN1C=CN(C)C1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide?
The InChIKey is HLEWYJGHIHAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH2F3NO2S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h3-5H,1,6H2,2H3;(H2,5,6,7).
What are the key properties of 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide?
1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide has a molecular weight of 259.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide is sourced from PubChem (CID 174794926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).