dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide

C23H31Cl2N2ORu- — CID 20767012

IUPACdichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
SMILESCC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C)CC2)c(C)c1
InChIInChI=1S/C13H19N2.C10H12O.2ClH.Ru/c1-10-7-11(2)13(12(3)8-10)15-6-5-14(4)9-15;1-8(2)11-10-7-5-4-6-9(10)3;;;/h7-9H,5-6H2,1-4H3;3-8H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyRLUGGLSBDKVUAU-UHFFFAOYSA-L
MW523.49 g/mol
LogP6.03
Rot. Bonds4

About dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide

dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide (PubChem CID 20767012) has the molecular formula C23H31Cl2N2ORu- and a molecular weight of 523.49 g/mol. Its IUPAC name is dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide.

Molecular Properties

Compound Namedichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
PubChem CID20767012
Molecular FormulaC23H31Cl2N2ORu-
Molecular Weight523.49 g/mol
Exact Mass523.09
IUPAC Namedichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
SMILESCC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C)CC2)c(C)c1
InChIInChI=1S/C13H19N2.C10H12O.2ClH.Ru/c1-10-7-11(2)13(12(3)8-10)15-6-5-14(4)9-15;1-8(2)11-10-7-5-4-6-9(10)3;;;/h7-9H,5-6H2,1-4H3;3-8H,1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyRLUGGLSBDKVUAU-UHFFFAOYSA-L
XLogP6.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 56.03
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-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,6-dimethylbenzenethiolate);methane;molecular hydrogen
CID 160794293
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-(3,5-dimethyl-1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 140638313
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)
CID 159726892
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-cyclopropyloxyphenyl)methylidene]ruthenium
CID 176633481
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-(1-methylpiperidin-4-yl)oxyphenyl]methylidene]ruthenium
CID 140615592
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273369
4-[[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-id-4-yl]methyl]-1-ethyl-1-methylpiperazin-1-ium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;iodide
CID 157075955
benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
CID 157447472
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
benzylidene(dichloro)ruthenium;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162285742
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 170653168

Frequently Asked Questions

What is the IUPAC name of dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?
The IUPAC name of dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide (CID 20767012) is dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide.
What is the SMILES notation for dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?
The canonical SMILES for dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide is CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(C)CC2)c(C)c1.
What is the InChIKey of dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?
The InChIKey is RLUGGLSBDKVUAU-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H19N2.C10H12O.2ClH.Ru/c1-10-7-11(2)13(12(3)8-10)15-6-5-14(4)9-15;1-8(2)11-10-7-5-4-6-9(10)3;;;/h7-9H,5-6H2,1-4H3;3-8H,1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide has a molecular weight of 523.49 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide is sourced from PubChem (CID 20767012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).