benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium

C26H44Cl2N2Ru — CID 169088163

IUPACbenzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium
SMILESCCCCCCCCN1CCN(CCCCCCCC)C1=[Ru](Cl)(Cl)=Cc1ccccc1
InChIInChI=1S/C19H38N2.C7H6.2ClH.Ru/c1-3-5-7-9-11-13-15-20-17-18-21(19-20)16-14-12-10-8-6-4-2;1-7-5-3-2-4-6-7;;;/h3-18H2,1-2H3;1-6H;2*1H;/q;;;;+2/p-2
InChIKeyDNPMONMQGYTUOW-UHFFFAOYSA-L
MW556.63 g/mol
LogP7.72
Rot. Bonds15

About benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium

benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium (PubChem CID 169088163) has the molecular formula C26H44Cl2N2Ru and a molecular weight of 556.63 g/mol. Its IUPAC name is benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium.

Molecular Properties

Compound Namebenzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium
PubChem CID169088163
Molecular FormulaC26H44Cl2N2Ru
Molecular Weight556.63 g/mol
Exact Mass556.19
IUPAC Namebenzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium
SMILESCCCCCCCCN1CCN(CCCCCCCC)C1=[Ru](Cl)(Cl)=Cc1ccccc1
InChIInChI=1S/C19H38N2.C7H6.2ClH.Ru/c1-3-5-7-9-11-13-15-20-17-18-21(19-20)16-14-12-10-8-6-4-2;1-7-5-3-2-4-6-7;;;/h3-18H2,1-2H3;1-6H;2*1H;/q;;;;+2/p-2
InChIKeyDNPMONMQGYTUOW-UHFFFAOYSA-L
XLogP7.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium?
The IUPAC name of benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium (CID 169088163) is benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium.
What is the SMILES notation for benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium?
The canonical SMILES for benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium is CCCCCCCCN1CCN(CCCCCCCC)C1=[Ru](Cl)(Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium?
The InChIKey is DNPMONMQGYTUOW-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H38N2.C7H6.2ClH.Ru/c1-3-5-7-9-11-13-15-20-17-18-21(19-20)16-14-12-10-8-6-4-2;1-7-5-3-2-4-6-7;;;/h3-18H2,1-2H3;1-6H;2*1H;/q;;;;+2/p-2.
What are the key properties of benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium?
benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium has a molecular weight of 556.63 g/mol, XLogP of 7.72, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-dichloro-(1,3-dioctylimidazolidin-2-ylidene)ruthenium is sourced from PubChem (CID 169088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).