2-ethenylideneimidazole

C5H4N2 — CID 91267044

IUPAC2-ethenylideneimidazole
SMILESC=C=C1N=CC=N1
InChIInChI=1S/C5H4N2/c1-2-5-6-3-4-7-5/h3-4H,1H2
InChIKeyXQKBRPDTWNNFRU-UHFFFAOYSA-N
MW92.10 g/mol
LogP0.77
Rot. Bonds

About 2-ethenylideneimidazole

2-ethenylideneimidazole (PubChem CID 91267044) has the molecular formula C5H4N2 and a molecular weight of 92.10 g/mol. Its IUPAC name is 2-ethenylideneimidazole.

Molecular Properties

Compound Name2-ethenylideneimidazole
PubChem CID91267044
Molecular FormulaC5H4N2
Molecular Weight92.10 g/mol
Exact Mass92.04
IUPAC Name2-ethenylideneimidazole
SMILESC=C=C1N=CC=N1
InChIInChI=1S/C5H4N2/c1-2-5-6-3-4-7-5/h3-4H,1H2
InChIKeyXQKBRPDTWNNFRU-UHFFFAOYSA-N
XLogP0.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylideneimidazole?
The IUPAC name of 2-ethenylideneimidazole (CID 91267044) is 2-ethenylideneimidazole.
What is the SMILES notation for 2-ethenylideneimidazole?
The canonical SMILES for 2-ethenylideneimidazole is C=C=C1N=CC=N1.
What is the InChIKey of 2-ethenylideneimidazole?
The InChIKey is XQKBRPDTWNNFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2/c1-2-5-6-3-4-7-5/h3-4H,1H2.
What are the key properties of 2-ethenylideneimidazole?
2-ethenylideneimidazole has a molecular weight of 92.10 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylideneimidazole is sourced from PubChem (CID 91267044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).