4-fluoro-1-iodo-2,5-dimethylimidazole

C5H6FIN2 — CID 59576014

IUPAC4-fluoro-1-iodo-2,5-dimethylimidazole
SMILESCc1nc(F)c(C)n1I
InChIInChI=1S/C5H6FIN2/c1-3-5(6)8-4(2)9(3)7/h1-2H3
InChIKeyOTADXTCHGYCKCE-UHFFFAOYSA-N
MW240.02 g/mol
LogP1.84
Rot. Bonds

About 4-fluoro-1-iodo-2,5-dimethylimidazole

4-fluoro-1-iodo-2,5-dimethylimidazole (PubChem CID 59576014) has the molecular formula C5H6FIN2 and a molecular weight of 240.02 g/mol. Its IUPAC name is 4-fluoro-1-iodo-2,5-dimethylimidazole.

Molecular Properties

Compound Name4-fluoro-1-iodo-2,5-dimethylimidazole
PubChem CID59576014
Molecular FormulaC5H6FIN2
Molecular Weight240.02 g/mol
Exact Mass239.96
IUPAC Name4-fluoro-1-iodo-2,5-dimethylimidazole
SMILESCc1nc(F)c(C)n1I
InChIInChI=1S/C5H6FIN2/c1-3-5(6)8-4(2)9(3)7/h1-2H3
InChIKeyOTADXTCHGYCKCE-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 51.84
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

1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2,4,5-Trimethyl-1H-imidazol-1-OL
CID 3271952
1-Iodo-2,4,5-trimethylimidazole
CID 68788797
Imidazole, 4-fluoro-5-methyl-2-trifluoromethyl-
CID 597804
4-fluoro-2-methyl-5-(trifluoromethyl)-1H-imidazole
CID 10487289
1,2,5-Trifluoro-4-methylimidazole
CID 68646609
4-fluoro-2,5-dimethyl-1H-imidazole
CID 117916347
1-Ethyl-5-fluoro-2-methylimidazole-4-carbonitrile
CID 139378922
2,4,5-Tris(trifluoromethyl)imidazol-3-ide
CID 154612671
1-Chloro-4,5-dimethyl-2-(trifluoromethyl)imidazole
CID 156416409
1-[Difluoro(iodo)methyl]-2,4,5-trimethylimidazole
CID 156762909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-iodo-2,5-dimethylimidazole?
The IUPAC name of 4-fluoro-1-iodo-2,5-dimethylimidazole (CID 59576014) is 4-fluoro-1-iodo-2,5-dimethylimidazole.
What is the SMILES notation for 4-fluoro-1-iodo-2,5-dimethylimidazole?
The canonical SMILES for 4-fluoro-1-iodo-2,5-dimethylimidazole is Cc1nc(F)c(C)n1I.
What is the InChIKey of 4-fluoro-1-iodo-2,5-dimethylimidazole?
The InChIKey is OTADXTCHGYCKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FIN2/c1-3-5(6)8-4(2)9(3)7/h1-2H3.
What are the key properties of 4-fluoro-1-iodo-2,5-dimethylimidazole?
4-fluoro-1-iodo-2,5-dimethylimidazole has a molecular weight of 240.02 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-iodo-2,5-dimethylimidazole is sourced from PubChem (CID 59576014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).