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

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Related Compounds

acetic acid;1-ethenyl-3-methyl-2H-imidazole
CID 174673019
1-ethenyl-3-prop-2-enyl-2H-imidazole;trifluoromethanesulfonamide
CID 175182380
2-(3-ethenyl-2H-imidazol-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 162275912
1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
1,3-bis(ethenyl)-2H-imidazole;hydrochloride
CID 175397950
(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine
CID 167028660
lithium;1-(3-ethenyl-2H-imidazol-1-yl)propane-1-sulfonic acid;bromide
CID 175247216
1-ethenyl-3-prop-2-enyl-2H-imidazole;2,2,2-trifluoroacetic acid
CID 174748376
azane;bis(trifluoromethanesulfonamide)
CID 171927833
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87103721
CID 87103721
CID 87784182
CID 87784182

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).