benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium

C24H24Cl2N2Ru — CID 87319781

IUPACbenzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium
SMILESCc1ccccc1N1CCN(c2ccccc2C)C1=[Ru](Cl)(Cl)=Cc1ccccc1
InChIInChI=1S/C17H18N2.C7H6.2ClH.Ru/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-7-5-3-2-4-6-7;;;/h3-10H,11-12H2,1-2H3;1-6H;2*1H;/q;;;;+2/p-2
InChIKeyOBFVNGMWTZELCK-UHFFFAOYSA-L
MW512.45 g/mol
LogP6.03
Rot. Bonds3

About benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium

benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium (PubChem CID 87319781) has the molecular formula C24H24Cl2N2Ru and a molecular weight of 512.45 g/mol. Its IUPAC name is benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium.

Molecular Properties

Compound Namebenzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium
PubChem CID87319781
Molecular FormulaC24H24Cl2N2Ru
Molecular Weight512.45 g/mol
Exact Mass512.04
IUPAC Namebenzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium
SMILESCc1ccccc1N1CCN(c2ccccc2C)C1=[Ru](Cl)(Cl)=Cc1ccccc1
InChIInChI=1S/C17H18N2.C7H6.2ClH.Ru/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-7-5-3-2-4-6-7;;;/h3-10H,11-12H2,1-2H3;1-6H;2*1H;/q;;;;+2/p-2
InChIKeyOBFVNGMWTZELCK-UHFFFAOYSA-L
XLogP6.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
CID 162127718
[1,3-bis(2,6-dimethylphenyl)imidazolidin-2-ylidene]-dichloro-[[2-[(dimethylamino)methyl]phenyl]methylidene]ruthenium
CID 139593110
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-(2-methylphenyl)-4-phenylpiperazin-2-one
CID 91159394
2-methyl-1-(2-methylphenyl)-4,5-dihydroimidazole
CID 67968169
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dihydrochloride
CID 87442592
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[[2-(2-sulfanylideneethoxy)phenyl]methylidene]ruthenium
CID 87557363
ethyl 2-[(2R)-2-methyl-4-(2-methylphenyl)-3-oxopiperazin-1-yl]acetate
CID 93321373
7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium
CID 166010787
2-chloro-1-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium
CID 122646856
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569

Frequently Asked Questions

What is the IUPAC name of benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium?
The IUPAC name of benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium (CID 87319781) is benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium.
What is the SMILES notation for benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium?
The canonical SMILES for benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium is Cc1ccccc1N1CCN(c2ccccc2C)C1=[Ru](Cl)(Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium?
The InChIKey is OBFVNGMWTZELCK-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H18N2.C7H6.2ClH.Ru/c1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-7-5-3-2-4-6-7;;;/h3-10H,11-12H2,1-2H3;1-6H;2*1H;/q;;;;+2/p-2.
What are the key properties of benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium?
benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium has a molecular weight of 512.45 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-[1,3-bis(2-methylphenyl)imidazolidin-2-ylidene]-dichlororuthenium is sourced from PubChem (CID 87319781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).