[4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol

C10H7FI2N2O — CID 165353734

IUPAC[4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(-n2cnc(I)c2I)c(F)c1
InChIInChI=1S/C10H7FI2N2O/c11-7-3-6(4-16)1-2-8(7)15-5-14-9(12)10(15)13/h1-3,5,16H,4H2
InChIKeyFJJUEBQOLBIZEI-UHFFFAOYSA-N
MW443.99 g/mol
LogP2.71
Rot. Bonds2

About [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol

[4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol (PubChem CID 165353734) has the molecular formula C10H7FI2N2O and a molecular weight of 443.99 g/mol. Its IUPAC name is [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol
PubChem CID165353734
Molecular FormulaC10H7FI2N2O
Molecular Weight443.99 g/mol
Exact Mass443.86
IUPAC Name[4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(-n2cnc(I)c2I)c(F)c1
InChIInChI=1S/C10H7FI2N2O/c11-7-3-6(4-16)1-2-8(7)15-5-14-9(12)10(15)13/h1-3,5,16H,4H2
InChIKeyFJJUEBQOLBIZEI-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.99
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol (CID 165353734) is [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol is OCc1ccc(-n2cnc(I)c2I)c(F)c1.
What is the InChIKey of [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol?
The InChIKey is FJJUEBQOLBIZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FI2N2O/c11-7-3-6(4-16)1-2-8(7)15-5-14-9(12)10(15)13/h1-3,5,16H,4H2.
What are the key properties of [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol?
[4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol has a molecular weight of 443.99 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-diiodoimidazol-1-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 165353734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).