lithium 4,5-dihydroimidazol-3-ide

C3H5LiN2 — CID 140596691

IUPAClithium 4,5-dihydroimidazol-3-ide
SMILESC1=NCC[N-]1.[Li+]
InChIInChI=1S/C3H5N2.Li/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;+1
InChIKeyFJLQWDKQRFHMGN-UHFFFAOYSA-N
MW76.03 g/mol
LogP-2.59
Rot. Bonds

About lithium 4,5-dihydroimidazol-3-ide

lithium 4,5-dihydroimidazol-3-ide (PubChem CID 140596691) has the molecular formula C3H5LiN2 and a molecular weight of 76.03 g/mol. Its IUPAC name is lithium 4,5-dihydroimidazol-3-ide.

Molecular Properties

Compound Namelithium 4,5-dihydroimidazol-3-ide
PubChem CID140596691
Molecular FormulaC3H5LiN2
Molecular Weight76.03 g/mol
Exact Mass76.06
IUPAC Namelithium 4,5-dihydroimidazol-3-ide
SMILESC1=NCC[N-]1.[Li+]
InChIInChI=1S/C3H5N2.Li/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;+1
InChIKeyFJLQWDKQRFHMGN-UHFFFAOYSA-N
XLogP-2.59
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.03
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium 4,5-dihydroimidazol-3-ide 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 lithium 4,5-dihydroimidazol-3-ide?
The IUPAC name of lithium 4,5-dihydroimidazol-3-ide (CID 140596691) is lithium 4,5-dihydroimidazol-3-ide.
What is the SMILES notation for lithium 4,5-dihydroimidazol-3-ide?
The canonical SMILES for lithium 4,5-dihydroimidazol-3-ide is C1=NCC[N-]1.[Li+].
What is the InChIKey of lithium 4,5-dihydroimidazol-3-ide?
The InChIKey is FJLQWDKQRFHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N2.Li/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;+1.
What are the key properties of lithium 4,5-dihydroimidazol-3-ide?
lithium 4,5-dihydroimidazol-3-ide has a molecular weight of 76.03 g/mol, XLogP of -2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,5-dihydroimidazol-3-ide is sourced from PubChem (CID 140596691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).