bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)

C10H16F6N6O4S2 — CID 171932409

IUPACbis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)
SMILESCn1ccnc1.Cn1ccnc1.[H]N=S(=O)(O)C(F)(F)F.[H]N=S(=O)(O)C(F)(F)F
InChIInChI=1S/2C4H6N2.2CH2F3NO2S/c2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7/h2*2-4H,1H3;2*(H2,5,6,7)
InChIKeyPYJVZUJUDZTBBE-UHFFFAOYSA-N
MW462.40 g/mol
LogP2.89
Rot. Bonds

About bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)

bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid) (PubChem CID 171932409) has the molecular formula C10H16F6N6O4S2 and a molecular weight of 462.40 g/mol. Its IUPAC name is bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid).

Molecular Properties

Compound Namebis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)
PubChem CID171932409
Molecular FormulaC10H16F6N6O4S2
Molecular Weight462.40 g/mol
Exact Mass462.06
IUPAC Namebis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)
SMILESCn1ccnc1.Cn1ccnc1.[H]N=S(=O)(O)C(F)(F)F.[H]N=S(=O)(O)C(F)(F)F
InChIInChI=1S/2C4H6N2.2CH2F3NO2S/c2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7/h2*2-4H,1H3;2*(H2,5,6,7)
InChIKeyPYJVZUJUDZTBBE-UHFFFAOYSA-N
XLogP2.89
TPSA157.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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aluminum;bis(1-methylimidazole);trichloride
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hydron;1-methylimidazole
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fluoroboronic acid;1-methylimidazole
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CID 173148040
CID 173148040
azane;1-methylimidazole;platinum(2+);dichloride
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CID 70468306

Frequently Asked Questions

What is the IUPAC name of bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)?
The IUPAC name of bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid) (CID 171932409) is bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid).
What is the SMILES notation for bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)?
The canonical SMILES for bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid) is Cn1ccnc1.Cn1ccnc1.[H]N=S(=O)(O)C(F)(F)F.[H]N=S(=O)(O)C(F)(F)F.
What is the InChIKey of bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)?
The InChIKey is PYJVZUJUDZTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.2CH2F3NO2S/c2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7/h2*2-4H,1H3;2*(H2,5,6,7).
What are the key properties of bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid)?
bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid) has a molecular weight of 462.40 g/mol, XLogP of 2.89, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylimidazole);bis(trifluoromethanesulfonimidic acid) is sourced from PubChem (CID 171932409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).