4,5-bis(ethenylidene)-1H-imidazole

C7H6N2 — CID 118132034

IUPAC4,5-bis(ethenylidene)-1H-imidazole
SMILESC=C=c1nc[nH]c1=C=C
InChIInChI=1S/C7H6N2/c1-3-6-7(4-2)9-5-8-6/h5H,1-2H2,(H,8,9)
InChIKeyPLCBOIJSAUFDIM-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.46
Rot. Bonds

About 4,5-bis(ethenylidene)-1H-imidazole

4,5-bis(ethenylidene)-1H-imidazole (PubChem CID 118132034) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 4,5-bis(ethenylidene)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(ethenylidene)-1H-imidazole
PubChem CID118132034
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name4,5-bis(ethenylidene)-1H-imidazole
SMILESC=C=c1nc[nH]c1=C=C
InChIInChI=1S/C7H6N2/c1-3-6-7(4-2)9-5-8-6/h5H,1-2H2,(H,8,9)
InChIKeyPLCBOIJSAUFDIM-UHFFFAOYSA-N
XLogP-0.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenylidene)-1H-imidazole?
The IUPAC name of 4,5-bis(ethenylidene)-1H-imidazole (CID 118132034) is 4,5-bis(ethenylidene)-1H-imidazole.
What is the SMILES notation for 4,5-bis(ethenylidene)-1H-imidazole?
The canonical SMILES for 4,5-bis(ethenylidene)-1H-imidazole is C=C=c1nc[nH]c1=C=C.
What is the InChIKey of 4,5-bis(ethenylidene)-1H-imidazole?
The InChIKey is PLCBOIJSAUFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-3-6-7(4-2)9-5-8-6/h5H,1-2H2,(H,8,9).
What are the key properties of 4,5-bis(ethenylidene)-1H-imidazole?
4,5-bis(ethenylidene)-1H-imidazole has a molecular weight of 118.14 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenylidene)-1H-imidazole is sourced from PubChem (CID 118132034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).