1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)

C12H15N2Ru — CID 177422301

IUPAC1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)
SMILESCN1C=CN(CCc2ccccc2)[CH-]1.[Ru+]
InChIInChI=1S/C12H15N2.Ru/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-11H,7-8H2,1H3;/q-1;+1
InChIKeyPOYWLMJZOWBOFX-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.06
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)

1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+) (PubChem CID 177422301) has the molecular formula C12H15N2Ru and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+).

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)
PubChem CID177422301
Molecular FormulaC12H15N2Ru
Molecular Weight288.34 g/mol
Exact Mass289.03
IUPAC Name1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)
SMILESCN1C=CN(CCc2ccccc2)[CH-]1.[Ru+]
InChIInChI=1S/C12H15N2.Ru/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-11H,7-8H2,1H3;/q-1;+1
InChIKeyPOYWLMJZOWBOFX-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.06
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

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1-methyl-3-(2-phenylethyl)-1,2-dihydroimidazol-1-ium chloride
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ethane;methane;2-phenylethylbenzene
CID 158652330
CID 159131095
CID 159131095
1-ethyl-3-(2-phenylethyl)-1,2-dihydrobenzimidazol-1-ium iodide
CID 71375203
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione
CID 710608
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)?
The IUPAC name of 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+) (CID 177422301) is 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+).
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+) is CN1C=CN(CCc2ccccc2)[CH-]1.[Ru+].
What is the InChIKey of 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)?
The InChIKey is POYWLMJZOWBOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2.Ru/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-11H,7-8H2,1H3;/q-1;+1.
What are the key properties of 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+)?
1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+) has a molecular weight of 288.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)-2H-imidazol-2-ide;ruthenium(1+) is sourced from PubChem (CID 177422301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).