1,3,4,5-tetramethylimidazol-1-ium iodide

C7H13IN2 — CID 24850667

IUPAC1,3,4,5-tetramethylimidazol-1-ium iodide
SMILESCc1c(C)[n+](C)cn1C.[I-]
InChIInChI=1S/C7H13N2.HI/c1-6-7(2)9(4)5-8(6)3;/h5H,1-4H3;1H/q+1;/p-1
InChIKeyXVAXXHWLEJMVKQ-UHFFFAOYSA-M
MW252.10 g/mol
LogP-2.53
Rot. Bonds

About 1,3,4,5-tetramethylimidazol-1-ium iodide

1,3,4,5-tetramethylimidazol-1-ium iodide (PubChem CID 24850667) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1,3,4,5-tetramethylimidazol-1-ium iodide.

Molecular Properties

Compound Name1,3,4,5-tetramethylimidazol-1-ium iodide
PubChem CID24850667
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC Name1,3,4,5-tetramethylimidazol-1-ium iodide
SMILESCc1c(C)[n+](C)cn1C.[I-]
InChIInChI=1S/C7H13N2.HI/c1-6-7(2)9(4)5-8(6)3;/h5H,1-4H3;1H/q+1;/p-1
InChIKeyXVAXXHWLEJMVKQ-UHFFFAOYSA-M
XLogP-2.53
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,3,4,5-tetramethylimidazol-1-ium iodide 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

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
4,5-Dimethyl-1H-imidazole
CID 75306
1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
1H-Imidazole, 2-nitro-1,4,5-trimethyl-
CID 201544
4-Bromo-1,5-dimethyl-1H-imidazole
CID 15639182
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
5-bromo-1,4-dimethyl-1H-imidazole
CID 58641831
1,4-dimethyl-1H-imidazol-5-amine hydrochloride
CID 74889882

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethylimidazol-1-ium iodide?
The IUPAC name of 1,3,4,5-tetramethylimidazol-1-ium iodide (CID 24850667) is 1,3,4,5-tetramethylimidazol-1-ium iodide.
What is the SMILES notation for 1,3,4,5-tetramethylimidazol-1-ium iodide?
The canonical SMILES for 1,3,4,5-tetramethylimidazol-1-ium iodide is Cc1c(C)[n+](C)cn1C.[I-].
What is the InChIKey of 1,3,4,5-tetramethylimidazol-1-ium iodide?
The InChIKey is XVAXXHWLEJMVKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13N2.HI/c1-6-7(2)9(4)5-8(6)3;/h5H,1-4H3;1H/q+1;/p-1.
What are the key properties of 1,3,4,5-tetramethylimidazol-1-ium iodide?
1,3,4,5-tetramethylimidazol-1-ium iodide has a molecular weight of 252.10 g/mol, XLogP of -2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethylimidazol-1-ium iodide is sourced from PubChem (CID 24850667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).