2-ethylideneimidazole

C5H6N2 — CID 56993510

IUPAC2-ethylideneimidazole
SMILESCC=C1N=CC=N1
InChIInChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-4H,1H3
InChIKeyMFHRARURXXMLPG-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.00
Rot. Bonds

About 2-ethylideneimidazole

2-ethylideneimidazole (PubChem CID 56993510) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-ethylideneimidazole.

Molecular Properties

Compound Name2-ethylideneimidazole
PubChem CID56993510
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-ethylideneimidazole
SMILESCC=C1N=CC=N1
InChIInChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-4H,1H3
InChIKeyMFHRARURXXMLPG-UHFFFAOYSA-N
XLogP1.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylideneimidazole?
The IUPAC name of 2-ethylideneimidazole (CID 56993510) is 2-ethylideneimidazole.
What is the SMILES notation for 2-ethylideneimidazole?
The canonical SMILES for 2-ethylideneimidazole is CC=C1N=CC=N1.
What is the InChIKey of 2-ethylideneimidazole?
The InChIKey is MFHRARURXXMLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-4H,1H3.
What are the key properties of 2-ethylideneimidazole?
2-ethylideneimidazole has a molecular weight of 94.12 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylideneimidazole is sourced from PubChem (CID 56993510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).