magnesium;1H-imidazole;diacetate

C7H10MgN2O4 — CID 174869579

IUPACmagnesium;1H-imidazole;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Mg+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C2H4O2.Mg/c1-2-5-3-4-1;2*1-2(3)4;/h1-3H,(H,4,5);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyGRGWRNYWLDZACE-UHFFFAOYSA-L
MW210.47 g/mol
LogP-2.46
Rot. Bonds

About magnesium;1H-imidazole;diacetate

magnesium;1H-imidazole;diacetate (PubChem CID 174869579) has the molecular formula C7H10MgN2O4 and a molecular weight of 210.47 g/mol. Its IUPAC name is magnesium;1H-imidazole;diacetate.

Molecular Properties

Compound Namemagnesium;1H-imidazole;diacetate
PubChem CID174869579
Molecular FormulaC7H10MgN2O4
Molecular Weight210.47 g/mol
Exact Mass210.05
IUPAC Namemagnesium;1H-imidazole;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Mg+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.2C2H4O2.Mg/c1-2-5-3-4-1;2*1-2(3)4;/h1-3H,(H,4,5);2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyGRGWRNYWLDZACE-UHFFFAOYSA-L
XLogP-2.46
TPSA108.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.47
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;1H-imidazole;acetate
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CID 139172703
tetrakis(1H-imidazole);silicic acid
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1H-imidazole;nitroxyl
CID 174498355
magnesium;hydride;1H-imidazole;dihydrate
CID 174901381
1H-imidazole;oxozinc
CID 67355712
1H-imidazole;methanamine
CID 70022684
1H-imidazole;tetrahydrochloride
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CID 175891649

Frequently Asked Questions

What is the IUPAC name of magnesium;1H-imidazole;diacetate?
The IUPAC name of magnesium;1H-imidazole;diacetate (CID 174869579) is magnesium;1H-imidazole;diacetate.
What is the SMILES notation for magnesium;1H-imidazole;diacetate?
The canonical SMILES for magnesium;1H-imidazole;diacetate is CC(=O)[O-].CC(=O)[O-].[Mg+2].c1c[nH]cn1.
What is the InChIKey of magnesium;1H-imidazole;diacetate?
The InChIKey is GRGWRNYWLDZACE-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4N2.2C2H4O2.Mg/c1-2-5-3-4-1;2*1-2(3)4;/h1-3H,(H,4,5);2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of magnesium;1H-imidazole;diacetate?
magnesium;1H-imidazole;diacetate has a molecular weight of 210.47 g/mol, XLogP of -2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1H-imidazole;diacetate is sourced from PubChem (CID 174869579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).