zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate

C15H15N5O3Zn — CID 139063984

IUPACzinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate
SMILESO=C([O-])C/N=C/c1ccccc1[O-].[Zn+2].c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/C9H9NO3.2C3H4N2.Zn/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;2*1-2-5-3-4-1;/h1-5,11H,6H2,(H,12,13);2*1-3H,(H,4,5);/q;;;+2/p-2/b10-5+;;;
InChIKeyLGWNYSIMZYQGOI-RWWJYAHQSA-L
MW378.71 g/mol
LogP-0.25
Rot. Bonds3

About zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate

zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate (PubChem CID 139063984) has the molecular formula C15H15N5O3Zn and a molecular weight of 378.71 g/mol. Its IUPAC name is zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate.

Molecular Properties

Compound Namezinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate
PubChem CID139063984
Molecular FormulaC15H15N5O3Zn
Molecular Weight378.71 g/mol
Exact Mass377.05
IUPAC Namezinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate
SMILESO=C([O-])C/N=C/c1ccccc1[O-].[Zn+2].c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/C9H9NO3.2C3H4N2.Zn/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;2*1-2-5-3-4-1;/h1-5,11H,6H2,(H,12,13);2*1-3H,(H,4,5);/q;;;+2/p-2/b10-5+;;;
InChIKeyLGWNYSIMZYQGOI-RWWJYAHQSA-L
XLogP-0.25
TPSA132.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate 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(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate?
The IUPAC name of zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate (CID 139063984) is zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate.
What is the SMILES notation for zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate?
The canonical SMILES for zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate is O=C([O-])C/N=C/c1ccccc1[O-].[Zn+2].c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate?
The InChIKey is LGWNYSIMZYQGOI-RWWJYAHQSA-L. The full InChI is InChI=1S/C9H9NO3.2C3H4N2.Zn/c11-8-4-2-1-3-7(8)5-10-6-9(12)13;2*1-2-5-3-4-1;/h1-5,11H,6H2,(H,12,13);2*1-3H,(H,4,5);/q;;;+2/p-2/b10-5+;;;.
What are the key properties of zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate?
zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate has a molecular weight of 378.71 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(1H-imidazole);2-[(2-oxidophenyl)methylideneamino]acetate is sourced from PubChem (CID 139063984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).