[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide

C16H18Cl2INRu — CID 162733732

IUPAC[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide
SMILESC[NH+](Cc1ccccc1)Cc1ccccc1C=[Ru](Cl)Cl.[I-]
InChIInChI=1S/C16H17N.2ClH.HI.Ru/c1-14-8-6-7-11-16(14)13-17(2)12-15-9-4-3-5-10-15;;;;/h1,3-11H,12-13H2,2H3;3*1H;/q;;;;+2/p-2
InChIKeyAEFZYAVPNHSQAI-UHFFFAOYSA-L
MW523.21 g/mol
LogP-0.02
Rot. Bonds5

About [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide

[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide (PubChem CID 162733732) has the molecular formula C16H18Cl2INRu and a molecular weight of 523.21 g/mol. Its IUPAC name is [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide.

Molecular Properties

Compound Name[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide
PubChem CID162733732
Molecular FormulaC16H18Cl2INRu
Molecular Weight523.21 g/mol
Exact Mass522.89
IUPAC Name[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide
SMILESC[NH+](Cc1ccccc1)Cc1ccccc1C=[Ru](Cl)Cl.[I-]
InChIInChI=1S/C16H17N.2ClH.HI.Ru/c1-14-8-6-7-11-16(14)13-17(2)12-15-9-4-3-5-10-15;;;;/h1,3-11H,12-13H2,2H3;3*1H;/q;;;;+2/p-2
InChIKeyAEFZYAVPNHSQAI-UHFFFAOYSA-L
XLogP-0.02
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
CID 162458941
dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium
CID 157139251
dichloro-[(2-formylphenyl)methylidene]ruthenium
CID 15984754
4-[[benzyl(methyl)azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate
CID 44664741
dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium
CID 140664615
dichloro-[[2-[(dibenzylazaniumyl)methyl]phenyl]methylidene]ruthenium;6-methoxy-2',2'-dimethyl-1'-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]spiro[1,2-dihydroindene-3,4'-pyrrolidin-5-ide];iodide
CID 162733785
benzyl-dodecyl-methylazanium hydroxide
CID 87456417
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
CID 163817229
CID 163817229
benzyl(dimethyl)azanium phenoxide
CID 88771722
benzyl(ditert-butyl)azanium
CID 58320117
4,6-diaminobenzene-1,3-disulfonate;bis(dibenzyl(methyl)azanium)
CID 139769812

Frequently Asked Questions

What is the IUPAC name of [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide?
The IUPAC name of [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide (CID 162733732) is [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide.
What is the SMILES notation for [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide?
The canonical SMILES for [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide is C[NH+](Cc1ccccc1)Cc1ccccc1C=[Ru](Cl)Cl.[I-].
What is the InChIKey of [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide?
The InChIKey is AEFZYAVPNHSQAI-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H17N.2ClH.HI.Ru/c1-14-8-6-7-11-16(14)13-17(2)12-15-9-4-3-5-10-15;;;;/h1,3-11H,12-13H2,2H3;3*1H;/q;;;;+2/p-2.
What are the key properties of [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide?
[2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide has a molecular weight of 523.21 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[benzyl(methyl)azaniumyl]methyl]phenyl]methylidene-dichlororuthenium iodide is sourced from PubChem (CID 162733732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).