lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide

C10H12LiN2- — CID 171838896

IUPAClithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide
SMILES[H]/[C-]=C(C)/C=C\c1[c-]nc(CC)[nH]1.[Li+]
InChIInChI=1S/C10H12N2.Li/c1-4-10-11-7-9(12-10)6-5-8(2)3;/h2,5-6H,4H2,1,3H3,(H,11,12);/q-2;+1/b6-5-;
InChIKeyLKQKEGALBZWBCT-YSMBQZINSA-N
MW167.16 g/mol
LogP-0.83
Rot. Bonds3

About lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide

lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide (PubChem CID 171838896) has the molecular formula C10H12LiN2- and a molecular weight of 167.16 g/mol. Its IUPAC name is lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide.

Molecular Properties

Compound Namelithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide
PubChem CID171838896
Molecular FormulaC10H12LiN2-
Molecular Weight167.16 g/mol
Exact Mass167.12
IUPAC Namelithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide
SMILES[H]/[C-]=C(C)/C=C\c1[c-]nc(CC)[nH]1.[Li+]
InChIInChI=1S/C10H12N2.Li/c1-4-10-11-7-9(12-10)6-5-8(2)3;/h2,5-6H,4H2,1,3H3,(H,11,12);/q-2;+1/b6-5-;
InChIKeyLKQKEGALBZWBCT-YSMBQZINSA-N
XLogP-0.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-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 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide?
The IUPAC name of lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide (CID 171838896) is lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide.
What is the SMILES notation for lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide?
The canonical SMILES for lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide is [H]/[C-]=C(C)/C=C\c1[c-]nc(CC)[nH]1.[Li+].
What is the InChIKey of lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide?
The InChIKey is LKQKEGALBZWBCT-YSMBQZINSA-N. The full InChI is InChI=1S/C10H12N2.Li/c1-4-10-11-7-9(12-10)6-5-8(2)3;/h2,5-6H,4H2,1,3H3,(H,11,12);/q-2;+1/b6-5-;.
What are the key properties of lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide?
lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide has a molecular weight of 167.16 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-ethyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-1,4-dihydroimidazol-4-ide is sourced from PubChem (CID 171838896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).