ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide

C7H12N2Ru+ — CID 59997625

IUPACruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
SMILESCc1[c-][n+](C)c(C)n1C.[Ru+]
InChIInChI=1S/C7H12N2.Ru/c1-6-5-8(3)7(2)9(6)4;/h1-4H3;/q;+1
InChIKeyQQODCXLLMXHTIX-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.26
Rot. Bonds

About ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide

ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide (PubChem CID 59997625) has the molecular formula C7H12N2Ru+ and a molecular weight of 225.26 g/mol. Its IUPAC name is ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide.

Molecular Properties

Compound Nameruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
PubChem CID59997625
Molecular FormulaC7H12N2Ru+
Molecular Weight225.26 g/mol
Exact Mass226.00
IUPAC Nameruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
SMILESCc1[c-][n+](C)c(C)n1C.[Ru+]
InChIInChI=1S/C7H12N2.Ru/c1-6-5-8(3)7(2)9(6)4;/h1-4H3;/q;+1
InChIKeyQQODCXLLMXHTIX-UHFFFAOYSA-N
XLogP0.26
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,4,5-Pentamethylimidazol-1-ium
CID 17775515
1,2,4,6-Tetramethylpyrimidine
CID 53690490
1,2,5-trimethyl-4H-imidazol-4-ide;yttrium
CID 58130771
2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium
CID 58719482
rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide
CID 59242000
1,1,2,5-Tetramethylimidazol-1-ium
CID 67204801
1,1,2,4,5-Pentamethylimidazol-1-ium hydroxide
CID 118235036
N,N'-dimethyl-N-prop-1-en-2-ylethanimidamide
CID 125510032
2,3,5-trimethyl-4H-imidazol-4-ide;tungsten
CID 153560636
1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
CID 20775680
1,1,2,4,5-Pentamethylimidazol-1-ium iodide
CID 21735267

Frequently Asked Questions

What is the IUPAC name of ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
The IUPAC name of ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide (CID 59997625) is ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide.
What is the SMILES notation for ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
The canonical SMILES for ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide is Cc1[c-][n+](C)c(C)n1C.[Ru+].
What is the InChIKey of ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
The InChIKey is QQODCXLLMXHTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.Ru/c1-6-5-8(3)7(2)9(6)4;/h1-4H3;/q;+1.
What are the key properties of ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide has a molecular weight of 225.26 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide is sourced from PubChem (CID 59997625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).