4,5-diiodo-1-(oxan-3-yl)imidazole

C8H10I2N2O — CID 130508120

IUPAC4,5-diiodo-1-(oxan-3-yl)imidazole
SMILESIc1ncn(C2CCCOC2)c1I
InChIInChI=1S/C8H10I2N2O/c9-7-8(10)12(5-11-7)6-2-1-3-13-4-6/h5-6H,1-4H2
InChIKeyZHVCVSBSAUHJMI-UHFFFAOYSA-N
MW403.99 g/mol
LogP2.44
Rot. Bonds1

About 4,5-diiodo-1-(oxan-3-yl)imidazole

4,5-diiodo-1-(oxan-3-yl)imidazole (PubChem CID 130508120) has the molecular formula C8H10I2N2O and a molecular weight of 403.99 g/mol. Its IUPAC name is 4,5-diiodo-1-(oxan-3-yl)imidazole.

Molecular Properties

Compound Name4,5-diiodo-1-(oxan-3-yl)imidazole
PubChem CID130508120
Molecular FormulaC8H10I2N2O
Molecular Weight403.99 g/mol
Exact Mass403.89
IUPAC Name4,5-diiodo-1-(oxan-3-yl)imidazole
SMILESIc1ncn(C2CCCOC2)c1I
InChIInChI=1S/C8H10I2N2O/c9-7-8(10)12(5-11-7)6-2-1-3-13-4-6/h5-6H,1-4H2
InChIKeyZHVCVSBSAUHJMI-UHFFFAOYSA-N
XLogP2.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 4,5-diiodo-1-(oxan-3-yl)imidazole?
The IUPAC name of 4,5-diiodo-1-(oxan-3-yl)imidazole (CID 130508120) is 4,5-diiodo-1-(oxan-3-yl)imidazole.
What is the SMILES notation for 4,5-diiodo-1-(oxan-3-yl)imidazole?
The canonical SMILES for 4,5-diiodo-1-(oxan-3-yl)imidazole is Ic1ncn(C2CCCOC2)c1I.
What is the InChIKey of 4,5-diiodo-1-(oxan-3-yl)imidazole?
The InChIKey is ZHVCVSBSAUHJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10I2N2O/c9-7-8(10)12(5-11-7)6-2-1-3-13-4-6/h5-6H,1-4H2.
What are the key properties of 4,5-diiodo-1-(oxan-3-yl)imidazole?
4,5-diiodo-1-(oxan-3-yl)imidazole has a molecular weight of 403.99 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-1-(oxan-3-yl)imidazole is sourced from PubChem (CID 130508120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).