1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)

C30H37N2ORu — CID 58568261

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)
SMILESCCOc1ccccc1C=[Ru+].Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2.C9H10O.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-10-9-7-5-4-6-8(9)2;/h9-13H,7-8H2,1-6H3;2,4-7H,3H2,1H3;/q-1;;+1
InChIKeyVZGHROVMZIAOKP-UHFFFAOYSA-N
MW542.71 g/mol
LogP6.77
Rot. Bonds5

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+) (PubChem CID 58568261) has the molecular formula C30H37N2ORu and a molecular weight of 542.71 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+).

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)
PubChem CID58568261
Molecular FormulaC30H37N2ORu
Molecular Weight542.71 g/mol
Exact Mass543.19
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)
SMILESCCOc1ccccc1C=[Ru+].Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N2.C9H10O.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-10-9-7-5-4-6-8(9)2;/h9-13H,7-8H2,1-6H3;2,4-7H,3H2,1H3;/q-1;;+1
InChIKeyVZGHROVMZIAOKP-UHFFFAOYSA-N
XLogP6.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-cyclopropyloxyphenyl)methylidene]ruthenium
CID 176633481
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium
CID 159708849
benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro(ethoxymethylidene)ruthenium;dimethylphosphane;bis(pyridine)
CID 162285779
(2-propan-2-yloxyphenyl)methylideneruthenium(1+);2,2,4-trimethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide;chloride
CID 86282239
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[[2-(2-sulfanylideneethoxy)phenyl]methylidene]ruthenium
CID 87557363
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
1-chloro-2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethylbenzene
CID 2283038
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-(3-oxobutan-2-yloxonio)phenyl]methylidene]ruthenium
CID 153084318
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807
2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 968035

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+) (CID 58568261) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+).
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+) is CCOc1ccccc1C=[Ru+].Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)?
The InChIKey is VZGHROVMZIAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N2.C9H10O.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-10-9-7-5-4-6-8(9)2;/h9-13H,7-8H2,1-6H3;2,4-7H,3H2,1H3;/q-1;;+1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+)?
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+) has a molecular weight of 542.71 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(2-ethoxyphenyl)methylideneruthenium(1+) is sourced from PubChem (CID 58568261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).