1-ethylimidazole;hydroiodide

C5H9IN2 — CID 66751695

IUPAC1-ethylimidazole;hydroiodide
SMILESCCn1ccnc1.I
InChIInChI=1S/C5H8N2.HI/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H
InChIKeyIXBVDUOPRIMGBO-UHFFFAOYSA-N
MW224.04 g/mol
LogP1.52
Rot. Bonds1

About 1-ethylimidazole;hydroiodide

1-ethylimidazole;hydroiodide (PubChem CID 66751695) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is 1-ethylimidazole;hydroiodide.

Molecular Properties

Compound Name1-ethylimidazole;hydroiodide
PubChem CID66751695
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name1-ethylimidazole;hydroiodide
SMILESCCn1ccnc1.I
InChIInChI=1S/C5H8N2.HI/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H
InChIKeyIXBVDUOPRIMGBO-UHFFFAOYSA-N
XLogP1.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethylimidazole;hydroiodide?
The IUPAC name of 1-ethylimidazole;hydroiodide (CID 66751695) is 1-ethylimidazole;hydroiodide.
What is the SMILES notation for 1-ethylimidazole;hydroiodide?
The canonical SMILES for 1-ethylimidazole;hydroiodide is CCn1ccnc1.I.
What is the InChIKey of 1-ethylimidazole;hydroiodide?
The InChIKey is IXBVDUOPRIMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.HI/c1-2-7-4-3-6-5-7;/h3-5H,2H2,1H3;1H.
What are the key properties of 1-ethylimidazole;hydroiodide?
1-ethylimidazole;hydroiodide has a molecular weight of 224.04 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimidazole;hydroiodide is sourced from PubChem (CID 66751695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).