1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)

C10H14F12N4O8S4 — CID 171930048

IUPAC1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESCCN1C=CN(C)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H12N2.2C2HF6NO4S2/c1-3-8-5-4-7(2)6-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,3,6H2,1-2H3;2*9H
InChIKeyOWOQXILFSFZPGY-UHFFFAOYSA-N
MW674.49 g/mol
LogP1.23
Rot. Bonds5

About 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)

1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) (PubChem CID 171930048) has the molecular formula C10H14F12N4O8S4 and a molecular weight of 674.49 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide).

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
PubChem CID171930048
Molecular FormulaC10H14F12N4O8S4
Molecular Weight674.49 g/mol
Exact Mass673.95
IUPAC Name1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
SMILESCCN1C=CN(C)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H12N2.2C2HF6NO4S2/c1-3-8-5-4-7(2)6-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,3,6H2,1-2H3;2*9H
InChIKeyOWOQXILFSFZPGY-UHFFFAOYSA-N
XLogP1.23
TPSA167.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N,3-diethyl-2H-imidazol-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175721988
propyl 2-(3-methyl-2H-imidazol-1-yl)acetate;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87942624
1-ethyl-3-methyl-2H-imidazole;1,1,2-trifluorobutane-1-sulfonic acid
CID 175178099
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-2H-pyridine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 172732295
1-ethyl-3-methyl-2H-imidazole;methylsulfinylmethane;2,2,2-trifluoroacetic acid
CID 175603725
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
1,3-bis(2-methylpropyl)-2H-imidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171923960
1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)
CID 161057242
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) (CID 171930048) is 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide).
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) is CCN1C=CN(C)C1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
The InChIKey is OWOQXILFSFZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2C2HF6NO4S2/c1-3-8-5-4-7(2)6-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,3,6H2,1-2H3;2*9H.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)?
1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) has a molecular weight of 674.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide) is sourced from PubChem (CID 171930048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).