5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole

C7H10N2 — CID 143686132

IUPAC5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole
SMILESC=C/C=C\C1CN=CN1
InChIInChI=1S/C7H10N2/c1-2-3-4-7-5-8-6-9-7/h2-4,6-7H,1,5H2,(H,8,9)/b4-3-
InChIKeyJMVWUGVUVGZSPJ-ARJAWSKDSA-N
MW122.17 g/mol
LogP0.73
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole

5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole (PubChem CID 143686132) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole
PubChem CID143686132
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole
SMILESC=C/C=C\C1CN=CN1
InChIInChI=1S/C7H10N2/c1-2-3-4-7-5-8-6-9-7/h2-4,6-7H,1,5H2,(H,8,9)/b4-3-
InChIKeyJMVWUGVUVGZSPJ-ARJAWSKDSA-N
XLogP0.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole (CID 143686132) is 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole is C=C/C=C\C1CN=CN1.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JMVWUGVUVGZSPJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-4-7-5-8-6-9-7/h2-4,6-7H,1,5H2,(H,8,9)/b4-3-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole?
5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole has a molecular weight of 122.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 143686132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).