2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium

C11H12FN2+ — CID 57189950

IUPAC2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium
SMILESC[N+]1(C)C=CN=C1c1ccc(F)cc1
InChIInChI=1S/C11H12FN2/c1-14(2)8-7-13-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/q+1
InChIKeyJAGCUNMOJGVACT-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds1

About 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium

2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium (PubChem CID 57189950) has the molecular formula C11H12FN2+ and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium
PubChem CID57189950
Molecular FormulaC11H12FN2+
Molecular Weight191.23 g/mol
Exact Mass191.10
IUPAC Name2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium
SMILESC[N+]1(C)C=CN=C1c1ccc(F)cc1
InChIInChI=1S/C11H12FN2/c1-14(2)8-7-13-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/q+1
InChIKeyJAGCUNMOJGVACT-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium 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

2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
2-(2-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 12191520
N,N-dimethylbenzamidine
CID 361540
1-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1H-imidazole
CID 72942199
4-phenyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 921190
1-((Methylimino)phenylmethyl)piperidine monohydrochloride
CID 3049212
N,N,N'-Trimethylbenzenecarboximidamide monohydrochloride
CID 3049214
4-(2-fluorophenyl)-7-methyl-2H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
CID 717973
1-[(3-Fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide
CID 71674687
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 71814995
Benzenecarboximidamide, n,n'-dimethyl-
CID 185669
(CH3)2N-C(C6H5)=Nch3
CID 3049215

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium?
The IUPAC name of 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium (CID 57189950) is 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium.
What is the SMILES notation for 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium?
The canonical SMILES for 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium is C[N+]1(C)C=CN=C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium?
The InChIKey is JAGCUNMOJGVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN2/c1-14(2)8-7-13-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/q+1.
What are the key properties of 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium?
2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium has a molecular weight of 191.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,1-dimethylimidazol-1-ium is sourced from PubChem (CID 57189950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).