rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide

C6H9N2Rb — CID 59242000

IUPACrubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide
SMILESCc1[c-]n(C)c(C)n1.[Rb+]
InChIInChI=1S/C6H9N2.Rb/c1-5-4-8(3)6(2)7-5;/h1-3H3;/q-1;+1
InChIKeySHESOIQWSHCEJI-UHFFFAOYSA-N
MW194.62 g/mol
LogP-2.16
Rot. Bonds

About rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide

rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide (PubChem CID 59242000) has the molecular formula C6H9N2Rb and a molecular weight of 194.62 g/mol. Its IUPAC name is rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide.

Molecular Properties

Compound Namerubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide
PubChem CID59242000
Molecular FormulaC6H9N2Rb
Molecular Weight194.62 g/mol
Exact Mass193.99
IUPAC Namerubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide
SMILESCc1[c-]n(C)c(C)n1.[Rb+]
InChIInChI=1S/C6H9N2.Rb/c1-5-4-8(3)6(2)7-5;/h1-3H3;/q-1;+1
InChIKeySHESOIQWSHCEJI-UHFFFAOYSA-N
XLogP-2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,4,5-Pentamethylimidazol-1-ium
CID 17775515
1,2,5-trimethyl-4H-imidazol-4-ide;yttrium
CID 58130771
3-ethenyl-2,5-dimethyl-4H-imidazol-4-ide;rubidium(1+)
CID 59339956
ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
CID 59997625
2,3,5-trimethyl-4H-imidazol-4-ide;tungsten
CID 153560636
3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)
CID 167451996
1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
CID 20775680

Frequently Asked Questions

What is the IUPAC name of rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide?
The IUPAC name of rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide (CID 59242000) is rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide.
What is the SMILES notation for rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide?
The canonical SMILES for rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide is Cc1[c-]n(C)c(C)n1.[Rb+].
What is the InChIKey of rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide?
The InChIKey is SHESOIQWSHCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2.Rb/c1-5-4-8(3)6(2)7-5;/h1-3H3;/q-1;+1.
What are the key properties of rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide?
rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide has a molecular weight of 194.62 g/mol, XLogP of -2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide is sourced from PubChem (CID 59242000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).