copper;tetrakis(2-methyl-4H-imidazole);sulfate

C16H24CuN8O4S — CID 19389517

IUPACcopper;tetrakis(2-methyl-4H-imidazole);sulfate
SMILESCC1=NCC=N1.CC1=NCC=N1.CC1=NCC=N1.CC1=NCC=N1.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/4C4H6N2.Cu.H2O4S/c4*1-4-5-2-3-6-4;;1-5(2,3)4/h4*2H,3H2,1H3;;(H2,1,2,3,4)/q;;;;+2;/p-2
InChIKeyALDWXSCDGUOSBE-UHFFFAOYSA-L
MW488.03 g/mol
LogP0.62
Rot. Bonds

About copper;tetrakis(2-methyl-4H-imidazole);sulfate

copper;tetrakis(2-methyl-4H-imidazole);sulfate (PubChem CID 19389517) has the molecular formula C16H24CuN8O4S and a molecular weight of 488.03 g/mol. Its IUPAC name is copper;tetrakis(2-methyl-4H-imidazole);sulfate.

Molecular Properties

Compound Namecopper;tetrakis(2-methyl-4H-imidazole);sulfate
PubChem CID19389517
Molecular FormulaC16H24CuN8O4S
Molecular Weight488.03 g/mol
Exact Mass487.09
IUPAC Namecopper;tetrakis(2-methyl-4H-imidazole);sulfate
SMILESCC1=NCC=N1.CC1=NCC=N1.CC1=NCC=N1.CC1=NCC=N1.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/4C4H6N2.Cu.H2O4S/c4*1-4-5-2-3-6-4;;1-5(2,3)4/h4*2H,3H2,1H3;;(H2,1,2,3,4)/q;;;;+2;/p-2
InChIKeyALDWXSCDGUOSBE-UHFFFAOYSA-L
XLogP0.62
TPSA179.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;tetrakis(2-methyl-4H-imidazole);sulfate?
The IUPAC name of copper;tetrakis(2-methyl-4H-imidazole);sulfate (CID 19389517) is copper;tetrakis(2-methyl-4H-imidazole);sulfate.
What is the SMILES notation for copper;tetrakis(2-methyl-4H-imidazole);sulfate?
The canonical SMILES for copper;tetrakis(2-methyl-4H-imidazole);sulfate is CC1=NCC=N1.CC1=NCC=N1.CC1=NCC=N1.CC1=NCC=N1.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;tetrakis(2-methyl-4H-imidazole);sulfate?
The InChIKey is ALDWXSCDGUOSBE-UHFFFAOYSA-L. The full InChI is InChI=1S/4C4H6N2.Cu.H2O4S/c4*1-4-5-2-3-6-4;;1-5(2,3)4/h4*2H,3H2,1H3;;(H2,1,2,3,4)/q;;;;+2;/p-2.
What are the key properties of copper;tetrakis(2-methyl-4H-imidazole);sulfate?
copper;tetrakis(2-methyl-4H-imidazole);sulfate has a molecular weight of 488.03 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrakis(2-methyl-4H-imidazole);sulfate is sourced from PubChem (CID 19389517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).