lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole

C11H11LiN2 — CID 58162938

IUPAClithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole
SMILESCc1cc[c-]c(-c2nccn2C)c1.[Li+]
InChIInChI=1S/C11H11N2.Li/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;/h3-4,6-8H,1-2H3;/q-1;+1
InChIKeyZPXBHNZOZBQFGI-UHFFFAOYSA-N
MW178.16 g/mol
LogP-0.80
Rot. Bonds1

About lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole

lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole (PubChem CID 58162938) has the molecular formula C11H11LiN2 and a molecular weight of 178.16 g/mol. Its IUPAC name is lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole.

Molecular Properties

Compound Namelithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole
PubChem CID58162938
Molecular FormulaC11H11LiN2
Molecular Weight178.16 g/mol
Exact Mass178.11
IUPAC Namelithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole
SMILESCc1cc[c-]c(-c2nccn2C)c1.[Li+]
InChIInChI=1S/C11H11N2.Li/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;/h3-4,6-8H,1-2H3;/q-1;+1
InChIKeyZPXBHNZOZBQFGI-UHFFFAOYSA-N
XLogP-0.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 14
CID 25116047
N-(dimethylallyl)imidazole
CID 57339814
1-Subsituted 1H-imidazole, 12
CID 57339815
4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
1,3-Dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one
CID 134306039
4-(1-Methyl-1h-imidazol-2-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145867266
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
N-geranylimidazol
CID 13309275
Allyl3-methylimidazole
CID 54215967
5h-Imidazo[1,2-a]azepine
CID 153846555

Frequently Asked Questions

What is the IUPAC name of lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole?
The IUPAC name of lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole (CID 58162938) is lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole.
What is the SMILES notation for lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole?
The canonical SMILES for lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole is Cc1cc[c-]c(-c2nccn2C)c1.[Li+].
What is the InChIKey of lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole?
The InChIKey is ZPXBHNZOZBQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2.Li/c1-9-4-3-5-10(8-9)11-12-6-7-13(11)2;/h3-4,6-8H,1-2H3;/q-1;+1.
What are the key properties of lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole?
lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole has a molecular weight of 178.16 g/mol, XLogP of -0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole is sourced from PubChem (CID 58162938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).