3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)

C8H13N2Rb — CID 167451996

IUPAC3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)
SMILESCc1[c-]n(C)c(C(C)C)n1.[Rb+]
InChIInChI=1S/C8H13N2.Rb/c1-6(2)8-9-7(3)5-10(8)4;/h6H,1-4H3;/q-1;+1
InChIKeyATCAKSRTZMIZLJ-UHFFFAOYSA-N
MW222.67 g/mol
LogP-1.34
Rot. Bonds1

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

3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+) (PubChem CID 167451996) has the molecular formula C8H13N2Rb and a molecular weight of 222.67 g/mol. Its IUPAC name is 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+).

Molecular Properties

Compound Name3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)
PubChem CID167451996
Molecular FormulaC8H13N2Rb
Molecular Weight222.67 g/mol
Exact Mass222.02
IUPAC Name3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)
SMILESCc1[c-]n(C)c(C(C)C)n1.[Rb+]
InChIInChI=1S/C8H13N2.Rb/c1-6(2)8-9-7(3)5-10(8)4;/h6H,1-4H3;/q-1;+1
InChIKeyATCAKSRTZMIZLJ-UHFFFAOYSA-N
XLogP-1.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-1.34
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

rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide
CID 59242000
2,3-dimethyl-5-propan-2-yl-4H-imidazol-4-ide;tungsten
CID 170601195

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)?
The IUPAC name of 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+) (CID 167451996) is 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+).
What is the SMILES notation for 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)?
The canonical SMILES for 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+) is Cc1[c-]n(C)c(C(C)C)n1.[Rb+].
What is the InChIKey of 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)?
The InChIKey is ATCAKSRTZMIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.Rb/c1-6(2)8-9-7(3)5-10(8)4;/h6H,1-4H3;/q-1;+1.
What are the key properties of 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+)?
3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+) has a molecular weight of 222.67 g/mol, XLogP of -1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propan-2-yl-4H-imidazol-4-ide;rubidium(1+) is sourced from PubChem (CID 167451996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).