5-tert-butyl-2-fluoro-4-iodo-1H-imidazole

C7H10FIN2 — CID 146376814

IUPAC5-tert-butyl-2-fluoro-4-iodo-1H-imidazole
SMILESCC(C)(C)c1[nH]c(F)nc1I
InChIInChI=1S/C7H10FIN2/c1-7(2,3)4-5(9)11-6(8)10-4/h1-3H3,(H,10,11)
InChIKeyXYRLGZSQEGYVSA-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.45
Rot. Bonds

About 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole

5-tert-butyl-2-fluoro-4-iodo-1H-imidazole (PubChem CID 146376814) has the molecular formula C7H10FIN2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-4-iodo-1H-imidazole
PubChem CID146376814
Molecular FormulaC7H10FIN2
Molecular Weight268.07 g/mol
Exact Mass267.99
IUPAC Name5-tert-butyl-2-fluoro-4-iodo-1H-imidazole
SMILESCC(C)(C)c1[nH]c(F)nc1I
InChIInChI=1S/C7H10FIN2/c1-7(2,3)4-5(9)11-6(8)10-4/h1-3H3,(H,10,11)
InChIKeyXYRLGZSQEGYVSA-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole (CID 146376814) is 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole is CC(C)(C)c1[nH]c(F)nc1I.
What is the InChIKey of 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole?
The InChIKey is XYRLGZSQEGYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FIN2/c1-7(2,3)4-5(9)11-6(8)10-4/h1-3H3,(H,10,11).
What are the key properties of 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole?
5-tert-butyl-2-fluoro-4-iodo-1H-imidazole has a molecular weight of 268.07 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-fluoro-4-iodo-1H-imidazole is sourced from PubChem (CID 146376814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).