1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)

C11H21N2O2Ru — CID 177480001

IUPAC1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)
SMILESCOCCN1[CH-]N(CCOC)C(C)=C1C.[Ru+]
InChIInChI=1S/C11H21N2O2.Ru/c1-10-11(2)13(6-8-15-4)9-12(10)5-7-14-3;/h9H,5-8H2,1-4H3;/q-1;+1
InChIKeyTXABEGHOSCDRRE-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.26
Rot. Bonds6

About 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)

1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+) (PubChem CID 177480001) has the molecular formula C11H21N2O2Ru and a molecular weight of 314.37 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+).

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)
PubChem CID177480001
Molecular FormulaC11H21N2O2Ru
Molecular Weight314.37 g/mol
Exact Mass315.06
IUPAC Name1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)
SMILESCOCCN1[CH-]N(CCOC)C(C)=C1C.[Ru+]
InChIInChI=1S/C11H21N2O2.Ru/c1-10-11(2)13(6-8-15-4)9-12(10)5-7-14-3;/h9H,5-8H2,1-4H3;/q-1;+1
InChIKeyTXABEGHOSCDRRE-UHFFFAOYSA-N
XLogP1.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)?
The IUPAC name of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+) (CID 177480001) is 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+).
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+) is COCCN1[CH-]N(CCOC)C(C)=C1C.[Ru+].
What is the InChIKey of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)?
The InChIKey is TXABEGHOSCDRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2.Ru/c1-10-11(2)13(6-8-15-4)9-12(10)5-7-14-3;/h9H,5-8H2,1-4H3;/q-1;+1.
What are the key properties of 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+)?
1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+) has a molecular weight of 314.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-4,5-dimethyl-2H-imidazol-2-ide;ruthenium(1+) is sourced from PubChem (CID 177480001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).