bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium

C20H28F12N6O8S4 — CID 11331894

IUPACbis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
SMILESCCCCn1cc[n+](C)c1-c1n(CCCC)cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H28N4.2C2F6NO4S2/c1-5-7-9-19-13-11-17(3)15(19)16-18(4)12-14-20(16)10-8-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-14H,5-10H2,1-4H3;;/q+2;2*-1
InChIKeyAMNPWOSVULTSEA-UHFFFAOYSA-N
MW836.72 g/mol
LogP4.32
Rot. Bonds11

About bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium

bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium (PubChem CID 11331894) has the molecular formula C20H28F12N6O8S4 and a molecular weight of 836.72 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium.

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
PubChem CID11331894
Molecular FormulaC20H28F12N6O8S4
Molecular Weight836.72 g/mol
Exact Mass836.07
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
SMILESCCCCn1cc[n+](C)c1-c1n(CCCC)cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H28N4.2C2F6NO4S2/c1-5-7-9-19-13-11-17(3)15(19)16-18(4)12-14-20(16)10-8-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-14H,5-10H2,1-4H3;;/q+2;2*-1
InChIKeyAMNPWOSVULTSEA-UHFFFAOYSA-N
XLogP4.32
TPSA182.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500836.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium
CID 11215194
bis(bis(trifluoromethylsulfonyl)azanide);2-(1,3-dimethylimidazol-1-ium-2-yl)-1,3-dimethylimidazol-1-ium
CID 11297190
bis(trifluoromethylsulfonyl)azanide;(2S)-2-[(1-butyl-3-methylimidazol-3-ium-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 11649667
1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonic acid
CID 159228243
bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium
CID 10411334
1-butyl-2,3-dimethylimidazol-3-ium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 123134715
bis(trifluoromethylsulfonyl)azanide;1,2,3-trimethylimidazol-1-ium
CID 141479881
2-(1-butyl-3-methylimidazol-3-ium-2-yl)-1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonic acid
CID 91297712
1,1,1-trifluoro-N-(1-methyl-3-octylimidazol-1-ium-2-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87204722
bis(trifluoromethylsulfonyl)azanide;1-hexyl-2-methyl-3-(pyrazol-1-ylmethyl)imidazol-3-ium
CID 11541004
bis(bis(trifluoromethylsulfonyl)azanide);bis(1-ethyl-3-methylimidazol-3-ium)
CID 139195180
silver;bis(trifluoromethylsulfonyl)azanide;bis(1-butylimidazole)
CID 139158584

Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium (CID 11331894) is bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium.
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium is CCCCn1cc[n+](C)c1-c1n(CCCC)cc[n+]1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium?
The InChIKey is AMNPWOSVULTSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.2C2F6NO4S2/c1-5-7-9-19-13-11-17(3)15(19)16-18(4)12-14-20(16)10-8-6-2;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-14H,5-10H2,1-4H3;;/q+2;2*-1.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium?
bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium has a molecular weight of 836.72 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);1-butyl-2-(1-butyl-3-methylimidazol-3-ium-2-yl)-3-methylimidazol-3-ium is sourced from PubChem (CID 11331894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).