2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)

C7H11N2Rb — CID 59985764

IUPAC2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)
SMILESCC(C)(C)c1n[c-]c[nH]1.[Rb+]
InChIInChI=1S/C7H11N2.Rb/c1-7(2,3)6-8-4-5-9-6;/h4H,1-3H3,(H,8,9);/q-1;+1
InChIKeyFKNCNAPXEYNWJE-UHFFFAOYSA-N
MW208.65 g/mol
LogP-1.49
Rot. Bonds

About 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)

2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+) (PubChem CID 59985764) has the molecular formula C7H11N2Rb and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+).

Molecular Properties

Compound Name2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)
PubChem CID59985764
Molecular FormulaC7H11N2Rb
Molecular Weight208.65 g/mol
Exact Mass208.00
IUPAC Name2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)
SMILESCC(C)(C)c1n[c-]c[nH]1.[Rb+]
InChIInChI=1S/C7H11N2.Rb/c1-7(2,3)6-8-4-5-9-6;/h4H,1-3H3,(H,8,9);/q-1;+1
InChIKeyFKNCNAPXEYNWJE-UHFFFAOYSA-N
XLogP-1.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)?
The IUPAC name of 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+) (CID 59985764) is 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+).
What is the SMILES notation for 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)?
The canonical SMILES for 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+) is CC(C)(C)c1n[c-]c[nH]1.[Rb+].
What is the InChIKey of 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)?
The InChIKey is FKNCNAPXEYNWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2.Rb/c1-7(2,3)6-8-4-5-9-6;/h4H,1-3H3,(H,8,9);/q-1;+1.
What are the key properties of 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+)?
2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+) has a molecular weight of 208.65 g/mol, XLogP of -1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4-dihydroimidazol-4-ide;rubidium(1+) is sourced from PubChem (CID 59985764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).