2-ethenyl-4H-imidazole

C5H6N2 — CID 54284178

IUPAC2-ethenyl-4H-imidazole
SMILESC=CC1=NCC=N1
InChIInChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-3H,1,4H2
InChIKeyRSXVSTPMZBVCMO-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.66
Rot. Bonds1

About 2-ethenyl-4H-imidazole

2-ethenyl-4H-imidazole (PubChem CID 54284178) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-ethenyl-4H-imidazole.

Molecular Properties

Compound Name2-ethenyl-4H-imidazole
PubChem CID54284178
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-ethenyl-4H-imidazole
SMILESC=CC1=NCC=N1
InChIInChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-3H,1,4H2
InChIKeyRSXVSTPMZBVCMO-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethenyl-4H-imidazole 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 2-ethenyl-4H-imidazole?
The IUPAC name of 2-ethenyl-4H-imidazole (CID 54284178) is 2-ethenyl-4H-imidazole.
What is the SMILES notation for 2-ethenyl-4H-imidazole?
The canonical SMILES for 2-ethenyl-4H-imidazole is C=CC1=NCC=N1.
What is the InChIKey of 2-ethenyl-4H-imidazole?
The InChIKey is RSXVSTPMZBVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-3H,1,4H2.
What are the key properties of 2-ethenyl-4H-imidazole?
2-ethenyl-4H-imidazole has a molecular weight of 94.12 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4H-imidazole is sourced from PubChem (CID 54284178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).