2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C11H18F6N3O7S2+ — CID 161253211

IUPAC2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.OCCc1n(CCO)cc[n+]1CCO
InChIInChI=1S/C9H17N2O3.C2HF6NO4S2/c12-6-1-9-10(4-7-13)2-3-11(9)5-8-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,12-14H,1,4-8H2;9H/q+1;
InChIKeyVBNXIFMGXOCRQC-UHFFFAOYSA-N
MW482.40 g/mol
LogP-1.43
Rot. Bonds8

About 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 161253211) has the molecular formula C11H18F6N3O7S2+ and a molecular weight of 482.40 g/mol. Its IUPAC name is 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID161253211
Molecular FormulaC11H18F6N3O7S2+
Molecular Weight482.40 g/mol
Exact Mass482.05
IUPAC Name2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.OCCc1n(CCO)cc[n+]1CCO
InChIInChI=1S/C9H17N2O3.C2HF6NO4S2/c12-6-1-9-10(4-7-13)2-3-11(9)5-8-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,12-14H,1,4-8H2;9H/q+1;
InChIKeyVBNXIFMGXOCRQC-UHFFFAOYSA-N
XLogP-1.43
TPSA149.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 161253211) is 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.OCCc1n(CCO)cc[n+]1CCO.
What is the InChIKey of 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is VBNXIFMGXOCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O3.C2HF6NO4S2/c12-6-1-9-10(4-7-13)2-3-11(9)5-8-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,12-14H,1,4-8H2;9H/q+1;.
What are the key properties of 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 482.40 g/mol, XLogP of -1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(2-hydroxyethyl)imidazol-1-ium-2-yl]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 161253211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).