zinc bis(2-methylimidazol-3-ide)

C8H10N4Zn — CID 15245636

IUPACzinc bis(2-methylimidazol-3-ide)
SMILESCc1ncc[n-]1.Cc1ncc[n-]1.[Zn+2]
InChIInChI=1S/2C4H5N2.Zn/c2*1-4-5-2-3-6-4;/h2*2-3H,1H3;/q2*-1;+2
InChIKeyMFLKDEMTKSVIBK-UHFFFAOYSA-N
MW227.59 g/mol
LogP0.69
Rot. Bonds

About zinc bis(2-methylimidazol-3-ide)

zinc bis(2-methylimidazol-3-ide) (PubChem CID 15245636) has the molecular formula C8H10N4Zn and a molecular weight of 227.59 g/mol. Its IUPAC name is zinc bis(2-methylimidazol-3-ide).

Molecular Properties

Compound Namezinc bis(2-methylimidazol-3-ide)
PubChem CID15245636
Molecular FormulaC8H10N4Zn
Molecular Weight227.59 g/mol
Exact Mass226.02
IUPAC Namezinc bis(2-methylimidazol-3-ide)
SMILESCc1ncc[n-]1.Cc1ncc[n-]1.[Zn+2]
InChIInChI=1S/2C4H5N2.Zn/c2*1-4-5-2-3-6-4;/h2*2-3H,1H3;/q2*-1;+2
InChIKeyMFLKDEMTKSVIBK-UHFFFAOYSA-N
XLogP0.69
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.59
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze zinc bis(2-methylimidazol-3-ide) 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 zinc bis(2-methylimidazol-3-ide)?
The IUPAC name of zinc bis(2-methylimidazol-3-ide) (CID 15245636) is zinc bis(2-methylimidazol-3-ide).
What is the SMILES notation for zinc bis(2-methylimidazol-3-ide)?
The canonical SMILES for zinc bis(2-methylimidazol-3-ide) is Cc1ncc[n-]1.Cc1ncc[n-]1.[Zn+2].
What is the InChIKey of zinc bis(2-methylimidazol-3-ide)?
The InChIKey is MFLKDEMTKSVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N2.Zn/c2*1-4-5-2-3-6-4;/h2*2-3H,1H3;/q2*-1;+2.
What are the key properties of zinc bis(2-methylimidazol-3-ide)?
zinc bis(2-methylimidazol-3-ide) has a molecular weight of 227.59 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-methylimidazol-3-ide) is sourced from PubChem (CID 15245636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).