1-ethenoxy-4,5-dihydroimidazole

C5H8N2O — CID 174871600

IUPAC1-ethenoxy-4,5-dihydroimidazole
SMILESC=CON1C=NCC1
InChIInChI=1S/C5H8N2O/c1-2-8-7-4-3-6-5-7/h2,5H,1,3-4H2
InChIKeyCDKKGTSTTGYYHK-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.41
Rot. Bonds2

About 1-ethenoxy-4,5-dihydroimidazole

1-ethenoxy-4,5-dihydroimidazole (PubChem CID 174871600) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 1-ethenoxy-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethenoxy-4,5-dihydroimidazole
PubChem CID174871600
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name1-ethenoxy-4,5-dihydroimidazole
SMILESC=CON1C=NCC1
InChIInChI=1S/C5H8N2O/c1-2-8-7-4-3-6-5-7/h2,5H,1,3-4H2
InChIKeyCDKKGTSTTGYYHK-UHFFFAOYSA-N
XLogP0.41
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-ethenoxy-4,5-dihydroimidazole 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-ethenoxy-4,5-dihydroimidazole?
The IUPAC name of 1-ethenoxy-4,5-dihydroimidazole (CID 174871600) is 1-ethenoxy-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethenoxy-4,5-dihydroimidazole?
The canonical SMILES for 1-ethenoxy-4,5-dihydroimidazole is C=CON1C=NCC1.
What is the InChIKey of 1-ethenoxy-4,5-dihydroimidazole?
The InChIKey is CDKKGTSTTGYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-8-7-4-3-6-5-7/h2,5H,1,3-4H2.
What are the key properties of 1-ethenoxy-4,5-dihydroimidazole?
1-ethenoxy-4,5-dihydroimidazole has a molecular weight of 112.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4,5-dihydroimidazole is sourced from PubChem (CID 174871600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).