(4E)-4-ethylidene-5-methylidene-1H-imidazole

C6H8N2 — CID 130181806

IUPAC(4E)-4-ethylidene-5-methylidene-1H-imidazole
SMILESC=c1[nH]cn/c1=C/C
InChIInChI=1S/C6H8N2/c1-3-6-5(2)7-4-8-6/h3-4H,2H2,1H3,(H,7,8)/b6-3+
InChIKeyFEGWRWGRGBEUGR-ZZXKWVIFSA-N
MW108.14 g/mol
LogP-0.38
Rot. Bonds

About (4E)-4-ethylidene-5-methylidene-1H-imidazole

(4E)-4-ethylidene-5-methylidene-1H-imidazole (PubChem CID 130181806) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (4E)-4-ethylidene-5-methylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-ethylidene-5-methylidene-1H-imidazole
PubChem CID130181806
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(4E)-4-ethylidene-5-methylidene-1H-imidazole
SMILESC=c1[nH]cn/c1=C/C
InChIInChI=1S/C6H8N2/c1-3-6-5(2)7-4-8-6/h3-4H,2H2,1H3,(H,7,8)/b6-3+
InChIKeyFEGWRWGRGBEUGR-ZZXKWVIFSA-N
XLogP-0.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-5-methylidene-1H-imidazole?
The IUPAC name of (4E)-4-ethylidene-5-methylidene-1H-imidazole (CID 130181806) is (4E)-4-ethylidene-5-methylidene-1H-imidazole.
What is the SMILES notation for (4E)-4-ethylidene-5-methylidene-1H-imidazole?
The canonical SMILES for (4E)-4-ethylidene-5-methylidene-1H-imidazole is C=c1[nH]cn/c1=C/C.
What is the InChIKey of (4E)-4-ethylidene-5-methylidene-1H-imidazole?
The InChIKey is FEGWRWGRGBEUGR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-6-5(2)7-4-8-6/h3-4H,2H2,1H3,(H,7,8)/b6-3+.
What are the key properties of (4E)-4-ethylidene-5-methylidene-1H-imidazole?
(4E)-4-ethylidene-5-methylidene-1H-imidazole has a molecular weight of 108.14 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-5-methylidene-1H-imidazole is sourced from PubChem (CID 130181806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).