1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole

C7H9F2IN2 — CID 156762909

IUPAC1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole
SMILESCc1nc(C)n(C(F)(F)I)c1C
InChIInChI=1S/C7H9F2IN2/c1-4-5(2)12(6(3)11-4)7(8,9)10/h1-3H3
InChIKeyJOAVMYYTDWPINS-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.75
Rot. Bonds1

About 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole

1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole (PubChem CID 156762909) has the molecular formula C7H9F2IN2 and a molecular weight of 286.06 g/mol. Its IUPAC name is 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole.

Molecular Properties

Compound Name1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole
PubChem CID156762909
Molecular FormulaC7H9F2IN2
Molecular Weight286.06 g/mol
Exact Mass285.98
IUPAC Name1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole
SMILESCc1nc(C)n(C(F)(F)I)c1C
InChIInChI=1S/C7H9F2IN2/c1-4-5(2)12(6(3)11-4)7(8,9)10/h1-3H3
InChIKeyJOAVMYYTDWPINS-UHFFFAOYSA-N
XLogP2.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(Difluoromethyl)-1-methylimidazole-4,5-dicarbonitrile
CID 138985010
1,2,3,4,5-Pentamethylimidazol-1-ium
CID 11032788
1-Ethyl trimethylimidazole
CID 24871657
1-Iodo-2,4,5-trimethylimidazole
CID 68788797
1,4-Dimethyl-5-(trifluoromethyl)imidazole
CID 20719661
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)imidazole
CID 21806710
1,5-Dimethyl-4-(trifluoromethyl)-1H-imidazole
CID 45088819
4-Fluoro-1-iodo-2,5-dimethylimidazole
CID 59576014
1-(Difluoromethyl)-4,5-dimethylimidazole
CID 116621736
1,2-Diethyl-5-methyl-4-(trifluoromethyl)imidazole
CID 145385909

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole?
The IUPAC name of 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole (CID 156762909) is 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole.
What is the SMILES notation for 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole?
The canonical SMILES for 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole is Cc1nc(C)n(C(F)(F)I)c1C.
What is the InChIKey of 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole?
The InChIKey is JOAVMYYTDWPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2IN2/c1-4-5(2)12(6(3)11-4)7(8,9)10/h1-3H3.
What are the key properties of 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole?
1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole has a molecular weight of 286.06 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(iodo)methyl]-2,4,5-trimethylimidazole is sourced from PubChem (CID 156762909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).