2-(4-iodoimidazol-1-yl)ethanamine

C5H8IN3 — CID 58247266

IUPAC2-(4-iodoimidazol-1-yl)ethanamine
SMILESNCCn1cnc(I)c1
InChIInChI=1S/C5H8IN3/c6-5-3-9(2-1-7)4-8-5/h3-4H,1-2,7H2
InChIKeyHYNMFJVHFLDDMK-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.45
Rot. Bonds2

About 2-(4-iodoimidazol-1-yl)ethanamine

2-(4-iodoimidazol-1-yl)ethanamine (PubChem CID 58247266) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-(4-iodoimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodoimidazol-1-yl)ethanamine
PubChem CID58247266
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC Name2-(4-iodoimidazol-1-yl)ethanamine
SMILESNCCn1cnc(I)c1
InChIInChI=1S/C5H8IN3/c6-5-3-9(2-1-7)4-8-5/h3-4H,1-2,7H2
InChIKeyHYNMFJVHFLDDMK-UHFFFAOYSA-N
XLogP0.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.45
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 2-(4-iodoimidazol-1-yl)ethanamine?
The IUPAC name of 2-(4-iodoimidazol-1-yl)ethanamine (CID 58247266) is 2-(4-iodoimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-iodoimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-iodoimidazol-1-yl)ethanamine is NCCn1cnc(I)c1.
What is the InChIKey of 2-(4-iodoimidazol-1-yl)ethanamine?
The InChIKey is HYNMFJVHFLDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c6-5-3-9(2-1-7)4-8-5/h3-4H,1-2,7H2.
What are the key properties of 2-(4-iodoimidazol-1-yl)ethanamine?
2-(4-iodoimidazol-1-yl)ethanamine has a molecular weight of 237.04 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoimidazol-1-yl)ethanamine is sourced from PubChem (CID 58247266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).