(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole

C8H9IN2 — CID 135170936

IUPAC(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(I)n/c1=C/C=C\C
InChIInChI=1S/C8H9IN2/c1-3-4-5-7-6(2)10-8(9)11-7/h3-5H,2H2,1H3,(H,10,11)/b4-3-,7-5+
InChIKeyZSJZXSWUMFBRCJ-QVXLNCAUSA-N
MW260.08 g/mol
LogP0.78
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole

(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole (PubChem CID 135170936) has the molecular formula C8H9IN2 and a molecular weight of 260.08 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole
PubChem CID135170936
Molecular FormulaC8H9IN2
Molecular Weight260.08 g/mol
Exact Mass259.98
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole
SMILESC=c1[nH]c(I)n/c1=C/C=C\C
InChIInChI=1S/C8H9IN2/c1-3-4-5-7-6(2)10-8(9)11-7/h3-5H,2H2,1H3,(H,10,11)/b4-3-,7-5+
InChIKeyZSJZXSWUMFBRCJ-QVXLNCAUSA-N
XLogP0.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole (CID 135170936) is (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole is C=c1[nH]c(I)n/c1=C/C=C\C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole?
The InChIKey is ZSJZXSWUMFBRCJ-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H9IN2/c1-3-4-5-7-6(2)10-8(9)11-7/h3-5H,2H2,1H3,(H,10,11)/b4-3-,7-5+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole?
(4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole has a molecular weight of 260.08 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-2-iodo-5-methylidene-1H-imidazole is sourced from PubChem (CID 135170936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).