1-iodo-2,4,5-trimethylimidazole

C6H9IN2 — CID 68788797

IUPAC1-iodo-2,4,5-trimethylimidazole
SMILESCc1nc(C)n(I)c1C
InChIInChI=1S/C6H9IN2/c1-4-5(2)9(7)6(3)8-4/h1-3H3
InChIKeyDAKNYPYXLLPKOO-UHFFFAOYSA-N
MW236.06 g/mol
LogP2.01
Rot. Bonds

About 1-iodo-2,4,5-trimethylimidazole

1-iodo-2,4,5-trimethylimidazole (PubChem CID 68788797) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 1-iodo-2,4,5-trimethylimidazole.

Molecular Properties

Compound Name1-iodo-2,4,5-trimethylimidazole
PubChem CID68788797
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name1-iodo-2,4,5-trimethylimidazole
SMILESCc1nc(C)n(I)c1C
InChIInChI=1S/C6H9IN2/c1-4-5(2)9(7)6(3)8-4/h1-3H3
InChIKeyDAKNYPYXLLPKOO-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-Trimethylimidazole
CID 69976
1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
5-iodo-2,4-dimethyl-1H-imidazole
CID 613638
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2,4,5-Trimethyl-1H-imidazol-1-OL
CID 3271952
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
4,5-dimethyl-1H-imidazole-2-carbonitrile
CID 19427257
1H-Imidazole, 1-hydroxy-2,4,5-trimethyl-, 3-oxide
CID 4101372
((1,4,5-Trimethyl-1H-imidazol-2-yl)methyl)amine dihydrochloride
CID 75485560
2-Ethyl-1-hydroxy-4,5-dimethyl-3-oxidoimidazol-3-ium
CID 5053557
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2,4,5-trimethylimidazole?
The IUPAC name of 1-iodo-2,4,5-trimethylimidazole (CID 68788797) is 1-iodo-2,4,5-trimethylimidazole.
What is the SMILES notation for 1-iodo-2,4,5-trimethylimidazole?
The canonical SMILES for 1-iodo-2,4,5-trimethylimidazole is Cc1nc(C)n(I)c1C.
What is the InChIKey of 1-iodo-2,4,5-trimethylimidazole?
The InChIKey is DAKNYPYXLLPKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2/c1-4-5(2)9(7)6(3)8-4/h1-3H3.
What are the key properties of 1-iodo-2,4,5-trimethylimidazole?
1-iodo-2,4,5-trimethylimidazole has a molecular weight of 236.06 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2,4,5-trimethylimidazole is sourced from PubChem (CID 68788797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).