1-(ethoxymethyl)-2-iodoimidazole

C6H9IN2O — CID 2773407

IUPAC1-(ethoxymethyl)-2-iodoimidazole
SMILESCCOCn1ccnc1I
InChIInChI=1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKeyYISOPKRYYGYKJQ-UHFFFAOYSA-N
MW252.05 g/mol
LogP1.48
Rot. Bonds3

About 1-(ethoxymethyl)-2-iodoimidazole

1-(ethoxymethyl)-2-iodoimidazole (PubChem CID 2773407) has the molecular formula C6H9IN2O and a molecular weight of 252.05 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-iodoimidazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-iodoimidazole
PubChem CID2773407
Molecular FormulaC6H9IN2O
Molecular Weight252.05 g/mol
Exact Mass251.98
IUPAC Name1-(ethoxymethyl)-2-iodoimidazole
SMILESCCOCn1ccnc1I
InChIInChI=1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKeyYISOPKRYYGYKJQ-UHFFFAOYSA-N
XLogP1.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 51.48
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 1-(ethoxymethyl)-2-iodoimidazole?
The IUPAC name of 1-(ethoxymethyl)-2-iodoimidazole (CID 2773407) is 1-(ethoxymethyl)-2-iodoimidazole.
What is the SMILES notation for 1-(ethoxymethyl)-2-iodoimidazole?
The canonical SMILES for 1-(ethoxymethyl)-2-iodoimidazole is CCOCn1ccnc1I.
What is the InChIKey of 1-(ethoxymethyl)-2-iodoimidazole?
The InChIKey is YISOPKRYYGYKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3.
What are the key properties of 1-(ethoxymethyl)-2-iodoimidazole?
1-(ethoxymethyl)-2-iodoimidazole has a molecular weight of 252.05 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-iodoimidazole is sourced from PubChem (CID 2773407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).