4H-imidazole;zinc

C3H4N2Zn — CID 66995227

IUPAC4H-imidazole;zinc
SMILESC1=NC=NC1.[Zn]
InChIInChI=1S/C3H4N2.Zn/c1-2-5-3-4-1;/h1,3H,2H2;
InChIKeyYLMLLOJEGWHSAN-UHFFFAOYSA-N
MW133.47 g/mol
LogP0.10
Rot. Bonds

About 4H-imidazole;zinc

4H-imidazole;zinc (PubChem CID 66995227) has the molecular formula C3H4N2Zn and a molecular weight of 133.47 g/mol. Its IUPAC name is 4H-imidazole;zinc.

Molecular Properties

Compound Name4H-imidazole;zinc
PubChem CID66995227
Molecular FormulaC3H4N2Zn
Molecular Weight133.47 g/mol
Exact Mass131.97
IUPAC Name4H-imidazole;zinc
SMILESC1=NC=NC1.[Zn]
InChIInChI=1S/C3H4N2.Zn/c1-2-5-3-4-1;/h1,3H,2H2;
InChIKeyYLMLLOJEGWHSAN-UHFFFAOYSA-N
XLogP0.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.47
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazole;zinc?
The IUPAC name of 4H-imidazole;zinc (CID 66995227) is 4H-imidazole;zinc.
What is the SMILES notation for 4H-imidazole;zinc?
The canonical SMILES for 4H-imidazole;zinc is C1=NC=NC1.[Zn].
What is the InChIKey of 4H-imidazole;zinc?
The InChIKey is YLMLLOJEGWHSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.Zn/c1-2-5-3-4-1;/h1,3H,2H2;.
What are the key properties of 4H-imidazole;zinc?
4H-imidazole;zinc has a molecular weight of 133.47 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazole;zinc is sourced from PubChem (CID 66995227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).