benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide

C25H34Cl4N4Ru-2 — CID 58984075

IUPACbenzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide
SMILESC1=CN(C2CCCCC2)[CH-]N1C1CCCCC1.ClN1C=CN(Cl)[CH-]1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C15H25N2.C7H6.C3H3Cl2N2.2ClH.Ru/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-7-5-3-2-4-6-7;4-6-1-2-7(5)3-6;;;/h11-15H,1-10H2;1-6H;1-3H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyUOUFFLGERGFNEE-UHFFFAOYSA-L
MW633.46 g/mol
LogP8.12
Rot. Bonds3

About benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide

benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide (PubChem CID 58984075) has the molecular formula C25H34Cl4N4Ru-2 and a molecular weight of 633.46 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide
PubChem CID58984075
Molecular FormulaC25H34Cl4N4Ru-2
Molecular Weight633.46 g/mol
Exact Mass632.06
IUPAC Namebenzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide
SMILESC1=CN(C2CCCCC2)[CH-]N1C1CCCCC1.ClN1C=CN(Cl)[CH-]1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C15H25N2.C7H6.C3H3Cl2N2.2ClH.Ru/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-7-5-3-2-4-6-7;4-6-1-2-7(5)3-6;;;/h11-15H,1-10H2;1-6H;1-3H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyUOUFFLGERGFNEE-UHFFFAOYSA-L
XLogP8.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.46
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
benzylidene(dichloro)ruthenium;1,3-dipropylimidazolidin-2-ide;tricyclohexylphosphanium
CID 58905757
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;carbanide
CID 21029728
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide
CID 59365574
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
CID 59656595
benzylidene(dichloro)ruthenium;4,5-dimethyl-3-[(1R,4S)-2,4,6-trimethylcyclohex-2-en-1-yl]-2H-1,3-thiazol-2-ide;tricyclohexylphosphanium
CID 59364894
CID 134991798
CID 134991798
bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)
CID 158563190
benzylidene(dichloro)ruthenium;bis(1,3-bis(4-methoxy-2,6-dimethylphenyl)-2H-imidazol-2-ide)
CID 153475090

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide?
The IUPAC name of benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide (CID 58984075) is benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide.
What is the SMILES notation for benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide?
The canonical SMILES for benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide is C1=CN(C2CCCCC2)[CH-]N1C1CCCCC1.ClN1C=CN(Cl)[CH-]1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide?
The InChIKey is UOUFFLGERGFNEE-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H25N2.C7H6.C3H3Cl2N2.2ClH.Ru/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;1-7-5-3-2-4-6-7;4-6-1-2-7(5)3-6;;;/h11-15H,1-10H2;1-6H;1-3H;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide?
benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide has a molecular weight of 633.46 g/mol, XLogP of 8.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide is sourced from PubChem (CID 58984075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).