2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole

C8H10N2 — CID 173339835

IUPAC2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole
SMILESC/C=C/C=C/c1ncc[nH]1
InChIInChI=1S/C8H10N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H,1H3,(H,9,10)/b3-2+,5-4+
InChIKeyKMQBKICXEVNOBS-MQQKCMAXSA-N
MW134.18 g/mol
LogP2.00
Rot. Bonds2

About 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole

2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole (PubChem CID 173339835) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole
PubChem CID173339835
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole
SMILESC/C=C/C=C/c1ncc[nH]1
InChIInChI=1S/C8H10N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H,1H3,(H,9,10)/b3-2+,5-4+
InChIKeyKMQBKICXEVNOBS-MQQKCMAXSA-N
XLogP2.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole?
The IUPAC name of 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole (CID 173339835) is 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole.
What is the SMILES notation for 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole?
The canonical SMILES for 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole is C/C=C/C=C/c1ncc[nH]1.
What is the InChIKey of 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole?
The InChIKey is KMQBKICXEVNOBS-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H,1H3,(H,9,10)/b3-2+,5-4+.
What are the key properties of 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole?
2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole has a molecular weight of 134.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole is sourced from PubChem (CID 173339835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).