dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium

C13H18Cl2N2Ru — CID 87866133

IUPACdichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium
SMILESCN1CCN(C)C1=[Ru](Cl)(Cl)=CCc1ccccc1
InChIInChI=1S/C8H8.C5H10N2.2ClH.Ru/c1-2-8-6-4-3-5-7-8;1-6-3-4-7(2)5-6;;;/h1,3-7H,2H2;3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyKYTAWVPMYAKVGO-UHFFFAOYSA-L
MW374.28 g/mol
LogP2.46
Rot. Bonds2

About dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium

dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium (PubChem CID 87866133) has the molecular formula C13H18Cl2N2Ru and a molecular weight of 374.28 g/mol. Its IUPAC name is dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium.

Molecular Properties

Compound Namedichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium
PubChem CID87866133
Molecular FormulaC13H18Cl2N2Ru
Molecular Weight374.28 g/mol
Exact Mass373.99
IUPAC Namedichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium
SMILESCN1CCN(C)C1=[Ru](Cl)(Cl)=CCc1ccccc1
InChIInChI=1S/C8H8.C5H10N2.2ClH.Ru/c1-2-8-6-4-3-5-7-8;1-6-3-4-7(2)5-6;;;/h1,3-7H,2H2;3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyKYTAWVPMYAKVGO-UHFFFAOYSA-L
XLogP2.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium?
The IUPAC name of dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium (CID 87866133) is dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium.
What is the SMILES notation for dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium?
The canonical SMILES for dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium is CN1CCN(C)C1=[Ru](Cl)(Cl)=CCc1ccccc1.
What is the InChIKey of dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium?
The InChIKey is KYTAWVPMYAKVGO-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8.C5H10N2.2ClH.Ru/c1-2-8-6-4-3-5-7-8;1-6-3-4-7(2)5-6;;;/h1,3-7H,2H2;3-4H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium?
dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium has a molecular weight of 374.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1,3-dimethylimidazolidin-2-ylidene)-(2-phenylethylidene)ruthenium is sourced from PubChem (CID 87866133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).