3-methyl-1H-imidazol-3-ium;palladium(2+)

C4H7N2Pd+3 — CID 87465716

IUPAC3-methyl-1H-imidazol-3-ium;palladium(2+)
SMILESC[n+]1cc[nH]c1.[Pd+2]
InChIInChI=1S/C4H6N2.Pd/c1-6-3-2-5-4-6;/h2-4H,1H3;/q;+2/p+1
InChIKeyIPCMWKXLKRQPJO-UHFFFAOYSA-O
MW189.53 g/mol
LogP-0.16
Rot. Bonds

About 3-methyl-1H-imidazol-3-ium;palladium(2+)

3-methyl-1H-imidazol-3-ium;palladium(2+) (PubChem CID 87465716) has the molecular formula C4H7N2Pd+3 and a molecular weight of 189.53 g/mol. Its IUPAC name is 3-methyl-1H-imidazol-3-ium;palladium(2+).

Molecular Properties

Compound Name3-methyl-1H-imidazol-3-ium;palladium(2+)
PubChem CID87465716
Molecular FormulaC4H7N2Pd+3
Molecular Weight189.53 g/mol
Exact Mass188.96
IUPAC Name3-methyl-1H-imidazol-3-ium;palladium(2+)
SMILESC[n+]1cc[nH]c1.[Pd+2]
InChIInChI=1S/C4H6N2.Pd/c1-6-3-2-5-4-6;/h2-4H,1H3;/q;+2/p+1
InChIKeyIPCMWKXLKRQPJO-UHFFFAOYSA-O
XLogP-0.16
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.53
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-imidazol-3-ium;palladium(2+)?
The IUPAC name of 3-methyl-1H-imidazol-3-ium;palladium(2+) (CID 87465716) is 3-methyl-1H-imidazol-3-ium;palladium(2+).
What is the SMILES notation for 3-methyl-1H-imidazol-3-ium;palladium(2+)?
The canonical SMILES for 3-methyl-1H-imidazol-3-ium;palladium(2+) is C[n+]1cc[nH]c1.[Pd+2].
What is the InChIKey of 3-methyl-1H-imidazol-3-ium;palladium(2+)?
The InChIKey is IPCMWKXLKRQPJO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2.Pd/c1-6-3-2-5-4-6;/h2-4H,1H3;/q;+2/p+1.
What are the key properties of 3-methyl-1H-imidazol-3-ium;palladium(2+)?
3-methyl-1H-imidazol-3-ium;palladium(2+) has a molecular weight of 189.53 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-imidazol-3-ium;palladium(2+) is sourced from PubChem (CID 87465716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).