lithium 1-methyl-2H-imidazol-2-ide

C4H5LiN2 — CID 11829358

IUPAClithium 1-methyl-2H-imidazol-2-ide
SMILESCn1[c-]ncc1.[Li+]
InChIInChI=1S/C4H5N2.Li/c1-6-3-2-5-4-6;/h2-3H,1H3;/q-1;+1
InChIKeyNXQZMCSPBQXVEE-UHFFFAOYSA-N
MW88.04 g/mol
LogP-2.78
Rot. Bonds

About lithium 1-methyl-2H-imidazol-2-ide

lithium 1-methyl-2H-imidazol-2-ide (PubChem CID 11829358) has the molecular formula C4H5LiN2 and a molecular weight of 88.04 g/mol. Its IUPAC name is lithium 1-methyl-2H-imidazol-2-ide.

Molecular Properties

Compound Namelithium 1-methyl-2H-imidazol-2-ide
PubChem CID11829358
Molecular FormulaC4H5LiN2
Molecular Weight88.04 g/mol
Exact Mass88.06
IUPAC Namelithium 1-methyl-2H-imidazol-2-ide
SMILESCn1[c-]ncc1.[Li+]
InChIInChI=1S/C4H5N2.Li/c1-6-3-2-5-4-6;/h2-3H,1H3;/q-1;+1
InChIKeyNXQZMCSPBQXVEE-UHFFFAOYSA-N
XLogP-2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.04
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 lithium 1-methyl-2H-imidazol-2-ide?
The IUPAC name of lithium 1-methyl-2H-imidazol-2-ide (CID 11829358) is lithium 1-methyl-2H-imidazol-2-ide.
What is the SMILES notation for lithium 1-methyl-2H-imidazol-2-ide?
The canonical SMILES for lithium 1-methyl-2H-imidazol-2-ide is Cn1[c-]ncc1.[Li+].
What is the InChIKey of lithium 1-methyl-2H-imidazol-2-ide?
The InChIKey is NXQZMCSPBQXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2.Li/c1-6-3-2-5-4-6;/h2-3H,1H3;/q-1;+1.
What are the key properties of lithium 1-methyl-2H-imidazol-2-ide?
lithium 1-methyl-2H-imidazol-2-ide has a molecular weight of 88.04 g/mol, XLogP of -2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methyl-2H-imidazol-2-ide is sourced from PubChem (CID 11829358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).