1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one

C11H12N4O — CID 174665933

IUPAC1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one
SMILESC=CC1=NC(=O)N=C1C.C=Cn1ccnc1
InChIInChI=1S/C6H6N2O.C5H6N2/c1-3-5-4(2)7-6(9)8-5;1-2-7-4-3-6-5-7/h3H,1H2,2H3;2-5H,1H2
InChIKeyWYNJJTFLQORVQE-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds2

About 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one

1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one (PubChem CID 174665933) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one.

Molecular Properties

Compound Name1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one
PubChem CID174665933
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one
SMILESC=CC1=NC(=O)N=C1C.C=Cn1ccnc1
InChIInChI=1S/C6H6N2O.C5H6N2/c1-3-5-4(2)7-6(9)8-5;1-2-7-4-3-6-5-7/h3H,1H2,2H3;2-5H,1H2
InChIKeyWYNJJTFLQORVQE-UHFFFAOYSA-N
XLogP2.19
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88514955
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Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one?
The IUPAC name of 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one (CID 174665933) is 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one.
What is the SMILES notation for 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one?
The canonical SMILES for 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one is C=CC1=NC(=O)N=C1C.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one?
The InChIKey is WYNJJTFLQORVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C5H6N2/c1-3-5-4(2)7-6(9)8-5;1-2-7-4-3-6-5-7/h3H,1H2,2H3;2-5H,1H2.
What are the key properties of 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one?
1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one is sourced from PubChem (CID 174665933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).