1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)

C11H18F6N4O6S2 — CID 161057242

IUPAC1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)
SMILESCCN1C=CN(C)C1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.c1c[nH]cn1
InChIInChI=1S/C6H12N2.C3H4N2.2CHF3O3S/c1-3-8-5-4-7(2)6-8;1-2-5-3-4-1;2*2-1(3,4)8(5,6)7/h4-5H,3,6H2,1-2H3;1-3H,(H,4,5);2*(H,5,6,7)
InChIKeyUCXIZMRPKLEIHT-UHFFFAOYSA-N
MW480.41 g/mol
LogP1.88
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)

1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid) (PubChem CID 161057242) has the molecular formula C11H18F6N4O6S2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)
PubChem CID161057242
Molecular FormulaC11H18F6N4O6S2
Molecular Weight480.41 g/mol
Exact Mass480.06
IUPAC Name1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)
SMILESCCN1C=CN(C)C1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.c1c[nH]cn1
InChIInChI=1S/C6H12N2.C3H4N2.2CHF3O3S/c1-3-8-5-4-7(2)6-8;1-2-5-3-4-1;2*2-1(3,4)8(5,6)7/h4-5H,3,6H2,1-2H3;1-3H,(H,4,5);2*(H,5,6,7)
InChIKeyUCXIZMRPKLEIHT-UHFFFAOYSA-N
XLogP1.88
TPSA143.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-imidazole;sulfuryl difluoride;trifluoromethanesulfonic acid
CID 175317208
1-ethyl-3-methyl-2H-imidazole;quinoline;trifluoromethanesulfonic acid
CID 175311505
1-ethyl-3-methyl-2H-imidazole;1,1,2-trifluorobutane-1-sulfonic acid
CID 175178099
1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 171930048
2-(3-methyl-2H-imidazol-1-yl)ethanol;trifluoromethanesulfonic acid
CID 174548173
1-methyl-3-octyl-2H-imidazole;bis(trifluoromethanesulfonic acid)
CID 175946209
cyanocyanamide;tris(1-ethyl-3-methyl-2H-imidazole);fluoro butane-1-sulfonate;trifluoromethanesulfonic acid
CID 174799602
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-3-methyl-2H-imidazole;methylsulfinylmethane;2,2,2-trifluoroacetic acid
CID 175603725
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid) (CID 161057242) is 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid) is CCN1C=CN(C)C1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.c1c[nH]cn1.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)?
The InChIKey is UCXIZMRPKLEIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C3H4N2.2CHF3O3S/c1-3-8-5-4-7(2)6-8;1-2-5-3-4-1;2*2-1(3,4)8(5,6)7/h4-5H,3,6H2,1-2H3;1-3H,(H,4,5);2*(H,5,6,7).
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid)?
1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid) has a molecular weight of 480.41 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;1H-imidazole;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 161057242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).