4-methylideneimidazole

C4H4N2 — CID 22321381

IUPAC4-methylideneimidazole
SMILESC=C1C=NC=N1
InChIInChI=1S/C4H4N2/c1-4-2-5-3-6-4/h2-3H,1H2
InChIKeyYLVJJWMZNUDZEO-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.61
Rot. Bonds

About 4-methylideneimidazole

4-methylideneimidazole (PubChem CID 22321381) has the molecular formula C4H4N2 and a molecular weight of 80.09 g/mol. Its IUPAC name is 4-methylideneimidazole.

Molecular Properties

Compound Name4-methylideneimidazole
PubChem CID22321381
Molecular FormulaC4H4N2
Molecular Weight80.09 g/mol
Exact Mass80.04
IUPAC Name4-methylideneimidazole
SMILESC=C1C=NC=N1
InChIInChI=1S/C4H4N2/c1-4-2-5-3-6-4/h2-3H,1H2
InChIKeyYLVJJWMZNUDZEO-UHFFFAOYSA-N
XLogP0.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylideneimidazole?
The IUPAC name of 4-methylideneimidazole (CID 22321381) is 4-methylideneimidazole.
What is the SMILES notation for 4-methylideneimidazole?
The canonical SMILES for 4-methylideneimidazole is C=C1C=NC=N1.
What is the InChIKey of 4-methylideneimidazole?
The InChIKey is YLVJJWMZNUDZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2/c1-4-2-5-3-6-4/h2-3H,1H2.
What are the key properties of 4-methylideneimidazole?
4-methylideneimidazole has a molecular weight of 80.09 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneimidazole is sourced from PubChem (CID 22321381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).