2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium

C14H18F6N4O4S2 — CID 157432526

IUPAC2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium
SMILESCCCC[n+]1ccn(CC)c1.O=S(=O)(c1c[n-]c(S(=O)(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H17N2.C5HF6N2O4S2/c1-3-5-6-11-8-7-10(4-2)9-11;6-4(7,8)18(14,15)2-1-12-3(13-2)19(16,17)5(9,10)11/h7-9H,3-6H2,1-2H3;1H/q+1;-1
InChIKeyBQSBVEZPRBIGJY-UHFFFAOYSA-N
MW484.44 g/mol
LogP2.22
Rot. Bonds6

About 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium

2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium (PubChem CID 157432526) has the molecular formula C14H18F6N4O4S2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium.

Molecular Properties

Compound Name2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium
PubChem CID157432526
Molecular FormulaC14H18F6N4O4S2
Molecular Weight484.44 g/mol
Exact Mass484.07
IUPAC Name2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium
SMILESCCCC[n+]1ccn(CC)c1.O=S(=O)(c1c[n-]c(S(=O)(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H17N2.C5HF6N2O4S2/c1-3-5-6-11-8-7-10(4-2)9-11;6-4(7,8)18(14,15)2-1-12-3(13-2)19(16,17)5(9,10)11/h7-9H,3-6H2,1-2H3;1H/q+1;-1
InChIKeyBQSBVEZPRBIGJY-UHFFFAOYSA-N
XLogP2.22
TPSA104.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-3-methylimidazolium bis-trifluoromethanesulfonimide
CID 131725277
1-Butyl-3methylimidazolium bis(trifluoromethanesulfonate)
CID 139113917
1-Butyl-3-methylimidazolium 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide tetrafluoroborate
CID 129818852
1-Ethyl-3-methylimidazolium nonafluorobutanesulfonate 1-butyl-3-methylimidazolium
CID 129818943
2-[(1,3-Dimethylimidazol-1-ium-2-yl)disulfanyl]-1,3-dimethylimidazol-1-ium;bis(trifluoromethanesulfonate)
CID 139158165
(N-butylimidazole)(N-ethylimidazole)silver bistriflimide
CID 139158582
Bis(1-ethyl-3-methylimidazol-3-ium);bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 139194303
3-methyl-1-(4-(1-methyl-1H-imidazol-3-ium-3-yl)butyl)-1H-imidazol-3-ium bis(trifluoromethanesulfonate)
CID 139194927
1-[2,2-Bis(trifluoromethylsulfonyl)ethyl]-3-butylimidazol-1-ium
CID 177550768
1-Ethyl-3-methyl-2,4-bis(trifluoromethylsulfonyl)imidazol-1-ium
CID 87964576
1-ethyl-3-methylimidazol-3-ium;N-[1-ethyl-3-methyl-4-(trifluoromethylsulfonyl)imidazol-1-ium-2-yl]-2,2,2-trifluoroacetamide;diacetate
CID 140189639
Bis(1-butyl-3-methylimidazol-3-ium);1,1,2,3,3,3-hexafluoropropane-1-sulfonate;1,1,2,2-tetrafluoroethanesulfonate
CID 140551899

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium?
The IUPAC name of 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium (CID 157432526) is 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium.
What is the SMILES notation for 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium?
The canonical SMILES for 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium is CCCC[n+]1ccn(CC)c1.O=S(=O)(c1c[n-]c(S(=O)(=O)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium?
The InChIKey is BQSBVEZPRBIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.C5HF6N2O4S2/c1-3-5-6-11-8-7-10(4-2)9-11;6-4(7,8)18(14,15)2-1-12-3(13-2)19(16,17)5(9,10)11/h7-9H,3-6H2,1-2H3;1H/q+1;-1.
What are the key properties of 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium?
2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium has a molecular weight of 484.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethylsulfonyl)imidazol-1-ide;1-butyl-3-ethylimidazol-1-ium is sourced from PubChem (CID 157432526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).