1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride

C12H16ClN2Pd- — CID 174996722

IUPAC1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride
SMILESC1=C[NH2+]C=N1.Cc1[c-]c(C)cc(C)c1.[Cl-].[Pd]
InChIInChI=1S/C9H11.C3H4N2.ClH.Pd/c1-7-4-8(2)6-9(3)5-7;1-2-5-3-4-1;;/h4-5H,1-3H3;1-3H,(H,4,5);1H;/q-1;;;
InChIKeyHPAAHLDCJTYWOK-UHFFFAOYSA-N
MW330.15 g/mol
LogP-1.52
Rot. Bonds

About 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride

1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride (PubChem CID 174996722) has the molecular formula C12H16ClN2Pd- and a molecular weight of 330.15 g/mol. Its IUPAC name is 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride.

Molecular Properties

Compound Name1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride
PubChem CID174996722
Molecular FormulaC12H16ClN2Pd-
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride
SMILESC1=C[NH2+]C=N1.Cc1[c-]c(C)cc(C)c1.[Cl-].[Pd]
InChIInChI=1S/C9H11.C3H4N2.ClH.Pd/c1-7-4-8(2)6-9(3)5-7;1-2-5-3-4-1;;/h4-5H,1-3H3;1-3H,(H,4,5);1H;/q-1;;;
InChIKeyHPAAHLDCJTYWOK-UHFFFAOYSA-N
XLogP-1.52
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride?
The IUPAC name of 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride (CID 174996722) is 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride.
What is the SMILES notation for 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride?
The canonical SMILES for 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride is C1=C[NH2+]C=N1.Cc1[c-]c(C)cc(C)c1.[Cl-].[Pd].
What is the InChIKey of 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride?
The InChIKey is HPAAHLDCJTYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.C3H4N2.ClH.Pd/c1-7-4-8(2)6-9(3)5-7;1-2-5-3-4-1;;/h4-5H,1-3H3;1-3H,(H,4,5);1H;/q-1;;;.
What are the key properties of 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride?
1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride has a molecular weight of 330.15 g/mol, XLogP of -1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-1-ium;palladium;1,3,5-trimethylbenzene-6-ide;chloride is sourced from PubChem (CID 174996722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).