1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)

C7H11N2Ru — CID 176952615

IUPAC1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)
SMILESCC(C)c1cn(C)[c-]n1.[Ru+]
InChIInChI=1S/C7H11N2.Ru/c1-6(2)7-4-9(3)5-8-7;/h4,6H,1-3H3;/q-1;+1
InChIKeyJOPOROKUGPYPKX-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)

1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+) (PubChem CID 176952615) has the molecular formula C7H11N2Ru and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+).

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)
PubChem CID176952615
Molecular FormulaC7H11N2Ru
Molecular Weight224.25 g/mol
Exact Mass225.00
IUPAC Name1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)
SMILESCC(C)c1cn(C)[c-]n1.[Ru+]
InChIInChI=1S/C7H11N2.Ru/c1-6(2)7-4-9(3)5-8-7;/h4,6H,1-3H3;/q-1;+1
InChIKeyJOPOROKUGPYPKX-UHFFFAOYSA-N
XLogP1.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)?
The IUPAC name of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+) (CID 176952615) is 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+).
What is the SMILES notation for 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)?
The canonical SMILES for 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+) is CC(C)c1cn(C)[c-]n1.[Ru+].
What is the InChIKey of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)?
The InChIKey is JOPOROKUGPYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2.Ru/c1-6(2)7-4-9(3)5-8-7;/h4,6H,1-3H3;/q-1;+1.
What are the key properties of 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+)?
1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+) has a molecular weight of 224.25 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 1-methyl-4-propan-2-yl-2H-imidazol-2-ide;ruthenium(1+) is sourced from PubChem (CID 176952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).