1-ethenyl-3-methylimidazole-2-selone

C6H8N2Se — CID 56648919

IUPAC1-ethenyl-3-methylimidazole-2-selone
SMILESC=Cn1ccn(C)c1=[Se]
InChIInChI=1S/C6H8N2Se/c1-3-8-5-4-7(2)6(8)9/h3-5H,1H2,2H3
InChIKeyCJSPCMPRCXBMED-UHFFFAOYSA-N
MW187.10 g/mol
LogP0.63
Rot. Bonds1

About 1-ethenyl-3-methylimidazole-2-selone

1-ethenyl-3-methylimidazole-2-selone (PubChem CID 56648919) has the molecular formula C6H8N2Se and a molecular weight of 187.10 g/mol. Its IUPAC name is 1-ethenyl-3-methylimidazole-2-selone.

Molecular Properties

Compound Name1-ethenyl-3-methylimidazole-2-selone
PubChem CID56648919
Molecular FormulaC6H8N2Se
Molecular Weight187.10 g/mol
Exact Mass187.99
IUPAC Name1-ethenyl-3-methylimidazole-2-selone
SMILESC=Cn1ccn(C)c1=[Se]
InChIInChI=1S/C6H8N2Se/c1-3-8-5-4-7(2)6(8)9/h3-5H,1H2,2H3
InChIKeyCJSPCMPRCXBMED-UHFFFAOYSA-N
XLogP0.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.10
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenyl-3-methylimidazole-2-selone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylimidazole-2-selone?
The IUPAC name of 1-ethenyl-3-methylimidazole-2-selone (CID 56648919) is 1-ethenyl-3-methylimidazole-2-selone.
What is the SMILES notation for 1-ethenyl-3-methylimidazole-2-selone?
The canonical SMILES for 1-ethenyl-3-methylimidazole-2-selone is C=Cn1ccn(C)c1=[Se].
What is the InChIKey of 1-ethenyl-3-methylimidazole-2-selone?
The InChIKey is CJSPCMPRCXBMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2Se/c1-3-8-5-4-7(2)6(8)9/h3-5H,1H2,2H3.
What are the key properties of 1-ethenyl-3-methylimidazole-2-selone?
1-ethenyl-3-methylimidazole-2-selone has a molecular weight of 187.10 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylimidazole-2-selone is sourced from PubChem (CID 56648919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).