zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride

C4H7ClN2Zn — CID 87506722

IUPACzinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride
SMILESCl.[CH3-].[Zn+2].[c-]1ncc[nH]1
InChIInChI=1S/C3H3N2.CH3.ClH.Zn/c1-2-5-3-4-1;;;/h1-2H,(H,4,5);1H3;1H;/q2*-1;;+2
InChIKeyNMIGPVGVQXPRHF-UHFFFAOYSA-N
MW183.96 g/mol
LogP1.08
Rot. Bonds

About zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride

zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride (PubChem CID 87506722) has the molecular formula C4H7ClN2Zn and a molecular weight of 183.96 g/mol. Its IUPAC name is zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride.

Molecular Properties

Compound Namezinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride
PubChem CID87506722
Molecular FormulaC4H7ClN2Zn
Molecular Weight183.96 g/mol
Exact Mass181.96
IUPAC Namezinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride
SMILESCl.[CH3-].[Zn+2].[c-]1ncc[nH]1
InChIInChI=1S/C3H3N2.CH3.ClH.Zn/c1-2-5-3-4-1;;;/h1-2H,(H,4,5);1H3;1H;/q2*-1;;+2
InChIKeyNMIGPVGVQXPRHF-UHFFFAOYSA-N
XLogP1.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.96
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride 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;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride?
The IUPAC name of zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride (CID 87506722) is zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride.
What is the SMILES notation for zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride?
The canonical SMILES for zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride is Cl.[CH3-].[Zn+2].[c-]1ncc[nH]1.
What is the InChIKey of zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride?
The InChIKey is NMIGPVGVQXPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2.CH3.ClH.Zn/c1-2-5-3-4-1;;;/h1-2H,(H,4,5);1H3;1H;/q2*-1;;+2.
What are the key properties of zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride?
zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride has a molecular weight of 183.96 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;1,2-dihydroimidazol-2-ide;hydrochloride is sourced from PubChem (CID 87506722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).