1-(azetidin-3-yl)-4,5-diiodoimidazole

C6H7I2N3 — CID 130508489

IUPAC1-(azetidin-3-yl)-4,5-diiodoimidazole
SMILESIc1ncn(C2CNC2)c1I
InChIInChI=1S/C6H7I2N3/c7-5-6(8)11(3-10-5)4-1-9-2-4/h3-4,9H,1-2H2
InChIKeyZFNFJVMNTBJPIB-UHFFFAOYSA-N
MW374.95 g/mol
LogP1.24
Rot. Bonds1

About 1-(azetidin-3-yl)-4,5-diiodoimidazole

1-(azetidin-3-yl)-4,5-diiodoimidazole (PubChem CID 130508489) has the molecular formula C6H7I2N3 and a molecular weight of 374.95 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4,5-diiodoimidazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4,5-diiodoimidazole
PubChem CID130508489
Molecular FormulaC6H7I2N3
Molecular Weight374.95 g/mol
Exact Mass374.87
IUPAC Name1-(azetidin-3-yl)-4,5-diiodoimidazole
SMILESIc1ncn(C2CNC2)c1I
InChIInChI=1S/C6H7I2N3/c7-5-6(8)11(3-10-5)4-1-9-2-4/h3-4,9H,1-2H2
InChIKeyZFNFJVMNTBJPIB-UHFFFAOYSA-N
XLogP1.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 51.24
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 1-(azetidin-3-yl)-4,5-diiodoimidazole?
The IUPAC name of 1-(azetidin-3-yl)-4,5-diiodoimidazole (CID 130508489) is 1-(azetidin-3-yl)-4,5-diiodoimidazole.
What is the SMILES notation for 1-(azetidin-3-yl)-4,5-diiodoimidazole?
The canonical SMILES for 1-(azetidin-3-yl)-4,5-diiodoimidazole is Ic1ncn(C2CNC2)c1I.
What is the InChIKey of 1-(azetidin-3-yl)-4,5-diiodoimidazole?
The InChIKey is ZFNFJVMNTBJPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7I2N3/c7-5-6(8)11(3-10-5)4-1-9-2-4/h3-4,9H,1-2H2.
What are the key properties of 1-(azetidin-3-yl)-4,5-diiodoimidazole?
1-(azetidin-3-yl)-4,5-diiodoimidazole has a molecular weight of 374.95 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4,5-diiodoimidazole is sourced from PubChem (CID 130508489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).