disodium;1H-imidazole-4,5-dicarboxylate

C5H2N2Na2O4 — CID 3572718

IUPACdisodium;1H-imidazole-4,5-dicarboxylate
SMILESO=C([O-])c1nc[nH]c1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H4N2O4.2Na/c8-4(9)2-3(5(10)11)7-1-6-2;;/h1H,(H,6,7)(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeyNMTPEXNAWAAFPY-UHFFFAOYSA-L
MW200.06 g/mol
LogP-8.86
Rot. Bonds2

About disodium;1H-imidazole-4,5-dicarboxylate

disodium;1H-imidazole-4,5-dicarboxylate (PubChem CID 3572718) has the molecular formula C5H2N2Na2O4 and a molecular weight of 200.06 g/mol. Its IUPAC name is disodium;1H-imidazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedisodium;1H-imidazole-4,5-dicarboxylate
PubChem CID3572718
Molecular FormulaC5H2N2Na2O4
Molecular Weight200.06 g/mol
Exact Mass199.98
IUPAC Namedisodium;1H-imidazole-4,5-dicarboxylate
SMILESO=C([O-])c1nc[nH]c1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H4N2O4.2Na/c8-4(9)2-3(5(10)11)7-1-6-2;;/h1H,(H,6,7)(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeyNMTPEXNAWAAFPY-UHFFFAOYSA-L
XLogP-8.86
TPSA108.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 5-8.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze disodium;1H-imidazole-4,5-dicarboxylate 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 disodium;1H-imidazole-4,5-dicarboxylate?
The IUPAC name of disodium;1H-imidazole-4,5-dicarboxylate (CID 3572718) is disodium;1H-imidazole-4,5-dicarboxylate.
What is the SMILES notation for disodium;1H-imidazole-4,5-dicarboxylate?
The canonical SMILES for disodium;1H-imidazole-4,5-dicarboxylate is O=C([O-])c1nc[nH]c1C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;1H-imidazole-4,5-dicarboxylate?
The InChIKey is NMTPEXNAWAAFPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H4N2O4.2Na/c8-4(9)2-3(5(10)11)7-1-6-2;;/h1H,(H,6,7)(H,8,9)(H,10,11);;/q;2*+1/p-2.
What are the key properties of disodium;1H-imidazole-4,5-dicarboxylate?
disodium;1H-imidazole-4,5-dicarboxylate has a molecular weight of 200.06 g/mol, XLogP of -8.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1H-imidazole-4,5-dicarboxylate is sourced from PubChem (CID 3572718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).