zinc;carbanide;1,4-dihydroimidazol-4-ide

C4H6N2Zn — CID 59917773

IUPACzinc;carbanide;1,4-dihydroimidazol-4-ide
SMILES[CH3-].[Zn+2].[c-]1c[nH]cn1
InChIInChI=1S/C3H3N2.CH3.Zn/c1-2-5-3-4-1;;/h1,3H,(H,4,5);1H3;/q2*-1;+2
InChIKeyPSKVXDMLFPWCPQ-UHFFFAOYSA-N
MW147.50 g/mol
LogP0.66
Rot. Bonds

About zinc;carbanide;1,4-dihydroimidazol-4-ide

zinc;carbanide;1,4-dihydroimidazol-4-ide (PubChem CID 59917773) has the molecular formula C4H6N2Zn and a molecular weight of 147.50 g/mol. Its IUPAC name is zinc;carbanide;1,4-dihydroimidazol-4-ide.

Molecular Properties

Compound Namezinc;carbanide;1,4-dihydroimidazol-4-ide
PubChem CID59917773
Molecular FormulaC4H6N2Zn
Molecular Weight147.50 g/mol
Exact Mass145.98
IUPAC Namezinc;carbanide;1,4-dihydroimidazol-4-ide
SMILES[CH3-].[Zn+2].[c-]1c[nH]cn1
InChIInChI=1S/C3H3N2.CH3.Zn/c1-2-5-3-4-1;;/h1,3H,(H,4,5);1H3;/q2*-1;+2
InChIKeyPSKVXDMLFPWCPQ-UHFFFAOYSA-N
XLogP0.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.50
LogP ≤ 50.66
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'}

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Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;1,4-dihydroimidazol-4-ide?
The IUPAC name of zinc;carbanide;1,4-dihydroimidazol-4-ide (CID 59917773) is zinc;carbanide;1,4-dihydroimidazol-4-ide.
What is the SMILES notation for zinc;carbanide;1,4-dihydroimidazol-4-ide?
The canonical SMILES for zinc;carbanide;1,4-dihydroimidazol-4-ide is [CH3-].[Zn+2].[c-]1c[nH]cn1.
What is the InChIKey of zinc;carbanide;1,4-dihydroimidazol-4-ide?
The InChIKey is PSKVXDMLFPWCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2.CH3.Zn/c1-2-5-3-4-1;;/h1,3H,(H,4,5);1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;1,4-dihydroimidazol-4-ide?
zinc;carbanide;1,4-dihydroimidazol-4-ide has a molecular weight of 147.50 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;1,4-dihydroimidazol-4-ide is sourced from PubChem (CID 59917773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).