(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole

C8H10N2 — CID 123668500

IUPAC(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]cn/c1=C/C
InChIInChI=1S/C8H10N2/c1-3-5-8-7(4-2)9-6-10-8/h3-6H,1H2,2H3,(H,9,10)/b7-4+,8-5+
InChIKeyWMGYVDLGFOSGIZ-NSLJXJERSA-N
MW134.18 g/mol
LogP0.18
Rot. Bonds1

About (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole

(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole (PubChem CID 123668500) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
PubChem CID123668500
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]cn/c1=C/C
InChIInChI=1S/C8H10N2/c1-3-5-8-7(4-2)9-6-10-8/h3-6H,1H2,2H3,(H,9,10)/b7-4+,8-5+
InChIKeyWMGYVDLGFOSGIZ-NSLJXJERSA-N
XLogP0.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole?
The IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole (CID 123668500) is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole is C=C/C=c1/[nH]cn/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole?
The InChIKey is WMGYVDLGFOSGIZ-NSLJXJERSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-5-8-7(4-2)9-6-10-8/h3-6H,1H2,2H3,(H,9,10)/b7-4+,8-5+.
What are the key properties of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole?
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole has a molecular weight of 134.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole is sourced from PubChem (CID 123668500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).