2-ethenyl-2H-imidazole

C5H6N2 — CID 67547203

IUPAC2-ethenyl-2H-imidazole
SMILESC=CC1N=CC=N1
InChIInChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-5H,1H2
InChIKeyUWVYDIPYMCIBSG-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.65
Rot. Bonds1

About 2-ethenyl-2H-imidazole

2-ethenyl-2H-imidazole (PubChem CID 67547203) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-ethenyl-2H-imidazole.

Molecular Properties

Compound Name2-ethenyl-2H-imidazole
PubChem CID67547203
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-ethenyl-2H-imidazole
SMILESC=CC1N=CC=N1
InChIInChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-5H,1H2
InChIKeyUWVYDIPYMCIBSG-UHFFFAOYSA-N
XLogP0.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2H-imidazole?
The IUPAC name of 2-ethenyl-2H-imidazole (CID 67547203) is 2-ethenyl-2H-imidazole.
What is the SMILES notation for 2-ethenyl-2H-imidazole?
The canonical SMILES for 2-ethenyl-2H-imidazole is C=CC1N=CC=N1.
What is the InChIKey of 2-ethenyl-2H-imidazole?
The InChIKey is UWVYDIPYMCIBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-5H,1H2.
What are the key properties of 2-ethenyl-2H-imidazole?
2-ethenyl-2H-imidazole has a molecular weight of 94.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2H-imidazole is sourced from PubChem (CID 67547203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).