sodium 1,2-dihydroimidazol-2-ide

C3H3N2Na — CID 86594679

IUPACsodium 1,2-dihydroimidazol-2-ide
SMILES[Na+].[c-]1ncc[nH]1
InChIInChI=1S/C3H3N2.Na/c1-2-5-3-4-1;/h1-2H,(H,4,5);/q-1;+1
InChIKeyJDNMNPGLHYULJF-UHFFFAOYSA-N
MW90.06 g/mol
LogP-2.79
Rot. Bonds

About sodium 1,2-dihydroimidazol-2-ide

sodium 1,2-dihydroimidazol-2-ide (PubChem CID 86594679) has the molecular formula C3H3N2Na and a molecular weight of 90.06 g/mol. Its IUPAC name is sodium 1,2-dihydroimidazol-2-ide.

Molecular Properties

Compound Namesodium 1,2-dihydroimidazol-2-ide
PubChem CID86594679
Molecular FormulaC3H3N2Na
Molecular Weight90.06 g/mol
Exact Mass90.02
IUPAC Namesodium 1,2-dihydroimidazol-2-ide
SMILES[Na+].[c-]1ncc[nH]1
InChIInChI=1S/C3H3N2.Na/c1-2-5-3-4-1;/h1-2H,(H,4,5);/q-1;+1
InChIKeyJDNMNPGLHYULJF-UHFFFAOYSA-N
XLogP-2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.06
LogP ≤ 5-2.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1,2-dihydroimidazol-2-ide?
The IUPAC name of sodium 1,2-dihydroimidazol-2-ide (CID 86594679) is sodium 1,2-dihydroimidazol-2-ide.
What is the SMILES notation for sodium 1,2-dihydroimidazol-2-ide?
The canonical SMILES for sodium 1,2-dihydroimidazol-2-ide is [Na+].[c-]1ncc[nH]1.
What is the InChIKey of sodium 1,2-dihydroimidazol-2-ide?
The InChIKey is JDNMNPGLHYULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2.Na/c1-2-5-3-4-1;/h1-2H,(H,4,5);/q-1;+1.
What are the key properties of sodium 1,2-dihydroimidazol-2-ide?
sodium 1,2-dihydroimidazol-2-ide has a molecular weight of 90.06 g/mol, XLogP of -2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2-dihydroimidazol-2-ide is sourced from PubChem (CID 86594679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).