1-ethenyl-3-ethyl-2H-imidazole;hydroiodide

C7H13IN2 — CID 173227414

IUPAC1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
SMILESC=CN1C=CN(CC)C1.I
InChIInChI=1S/C7H12N2.HI/c1-3-8-5-6-9(4-2)7-8;/h3,5-6H,1,4,7H2,2H3;1H
InChIKeySLDMVNLFJWRODV-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.81
Rot. Bonds2

About 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide

1-ethenyl-3-ethyl-2H-imidazole;hydroiodide (PubChem CID 173227414) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
PubChem CID173227414
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC Name1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
SMILESC=CN1C=CN(CC)C1.I
InChIInChI=1S/C7H12N2.HI/c1-3-8-5-6-9(4-2)7-8;/h3,5-6H,1,4,7H2,2H3;1H
InChIKeySLDMVNLFJWRODV-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenyl-3-ethyl-2H-imidazole;hydroiodide?
The IUPAC name of 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide (CID 173227414) is 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide is C=CN1C=CN(CC)C1.I.
What is the InChIKey of 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide?
The InChIKey is SLDMVNLFJWRODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.HI/c1-3-8-5-6-9(4-2)7-8;/h3,5-6H,1,4,7H2,2H3;1H.
What are the key properties of 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide?
1-ethenyl-3-ethyl-2H-imidazole;hydroiodide has a molecular weight of 252.10 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 173227414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).