(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole

C9H12N2 — CID 143954269

IUPAC(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole
SMILESC=CC/C=c1/[nH]cn/c1=C/C
InChIInChI=1S/C9H12N2/c1-3-5-6-9-8(4-2)10-7-11-9/h3-4,6-7H,1,5H2,2H3,(H,10,11)/b8-4+,9-6+
InChIKeyAAHRFFOFDOFVRK-HNJDCKIISA-N
MW148.21 g/mol
LogP0.57
Rot. Bonds2

About (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole

(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole (PubChem CID 143954269) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole
PubChem CID143954269
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole
SMILESC=CC/C=c1/[nH]cn/c1=C/C
InChIInChI=1S/C9H12N2/c1-3-5-6-9-8(4-2)10-7-11-9/h3-4,6-7H,1,5H2,2H3,(H,10,11)/b8-4+,9-6+
InChIKeyAAHRFFOFDOFVRK-HNJDCKIISA-N
XLogP0.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,5E)-4-(2-fluoroethylidene)-5-(2-fluoropropylidene)-1H-imidazole
CID 144356998
(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1H-imidazole
CID 144415068
5,6-dihydro-1H-benzimidazole
CID 68269788
6-methyl-5,6-dihydro-1H-benzimidazole
CID 68310961
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
5-Ethyl-1,5-dihydrocyclohepta[d]imidazole
CID 90804615
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
3,7-Dihydrocyclohepta[d]imidazole
CID 91179014
1,5-Dihydrocyclopenta[d]imidazole
CID 118403284
5-Methyl-1,5-dihydrocyclohepta[d]imidazole
CID 122463259

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole?
The IUPAC name of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole (CID 143954269) is (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole is C=CC/C=c1/[nH]cn/c1=C/C.
What is the InChIKey of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole?
The InChIKey is AAHRFFOFDOFVRK-HNJDCKIISA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-6-9-8(4-2)10-7-11-9/h3-4,6-7H,1,5H2,2H3,(H,10,11)/b8-4+,9-6+.
What are the key properties of (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole?
(4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole has a molecular weight of 148.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-but-3-enylidene-4-ethylidene-1H-imidazole is sourced from PubChem (CID 143954269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).