bromozinc(1+);1-methyl-2H-imidazol-2-ide

C4H5BrN2Zn — CID 134901833

IUPACbromozinc(1+);1-methyl-2H-imidazol-2-ide
SMILESCn1[c-]ncc1.[Zn+]Br
InChIInChI=1S/C4H5N2.BrH.Zn/c1-6-3-2-5-4-6;;/h2-3H,1H3;1H;/q-1;;+2/p-1
InChIKeyAHVRTKNUCQHOML-UHFFFAOYSA-M
MW226.39 g/mol
LogP1.06
Rot. Bonds

About bromozinc(1+);1-methyl-2H-imidazol-2-ide

bromozinc(1+);1-methyl-2H-imidazol-2-ide (PubChem CID 134901833) has the molecular formula C4H5BrN2Zn and a molecular weight of 226.39 g/mol. Its IUPAC name is bromozinc(1+);1-methyl-2H-imidazol-2-ide.

Molecular Properties

Compound Namebromozinc(1+);1-methyl-2H-imidazol-2-ide
PubChem CID134901833
Molecular FormulaC4H5BrN2Zn
Molecular Weight226.39 g/mol
Exact Mass223.89
IUPAC Namebromozinc(1+);1-methyl-2H-imidazol-2-ide
SMILESCn1[c-]ncc1.[Zn+]Br
InChIInChI=1S/C4H5N2.BrH.Zn/c1-6-3-2-5-4-6;;/h2-3H,1H3;1H;/q-1;;+2/p-1
InChIKeyAHVRTKNUCQHOML-UHFFFAOYSA-M
XLogP1.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bromozinc(1+);1-methyl-2H-imidazol-2-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 bromozinc(1+);1-methyl-2H-imidazol-2-ide?
The IUPAC name of bromozinc(1+);1-methyl-2H-imidazol-2-ide (CID 134901833) is bromozinc(1+);1-methyl-2H-imidazol-2-ide.
What is the SMILES notation for bromozinc(1+);1-methyl-2H-imidazol-2-ide?
The canonical SMILES for bromozinc(1+);1-methyl-2H-imidazol-2-ide is Cn1[c-]ncc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methyl-2H-imidazol-2-ide?
The InChIKey is AHVRTKNUCQHOML-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N2.BrH.Zn/c1-6-3-2-5-4-6;;/h2-3H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methyl-2H-imidazol-2-ide?
bromozinc(1+);1-methyl-2H-imidazol-2-ide has a molecular weight of 226.39 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methyl-2H-imidazol-2-ide is sourced from PubChem (CID 134901833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).