bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium

C11H13F6N5O4S2 — CID 11201927

IUPACbis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium
SMILESCn1ccnc1-c1n(C)cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13N4.C2F6NO4S2/c1-11-5-4-10-8(11)9-12(2)6-7-13(9)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-7H,1-3H3;/q+1;-1
InChIKeyAAAICJIIHKQBGJ-UHFFFAOYSA-N
MW457.38 g/mol
LogP1.31
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium

bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium (PubChem CID 11201927) has the molecular formula C11H13F6N5O4S2 and a molecular weight of 457.38 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium
PubChem CID11201927
Molecular FormulaC11H13F6N5O4S2
Molecular Weight457.38 g/mol
Exact Mass457.03
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium
SMILESCn1ccnc1-c1n(C)cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13N4.C2F6NO4S2/c1-11-5-4-10-8(11)9-12(2)6-7-13(9)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-7H,1-3H3;/q+1;-1
InChIKeyAAAICJIIHKQBGJ-UHFFFAOYSA-N
XLogP1.31
TPSA109.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium (CID 11201927) is bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium is Cn1ccnc1-c1n(C)cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium?
The InChIKey is AAAICJIIHKQBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N4.C2F6NO4S2/c1-11-5-4-10-8(11)9-12(2)6-7-13(9)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-7H,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium?
bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium has a molecular weight of 457.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1,3-dimethyl-2-(1-methylimidazol-2-yl)imidazol-1-ium is sourced from PubChem (CID 11201927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).