5-hepta-1,3-dienyl-1H-imidazole

C10H14N2 — CID 137333497

IUPAC5-hepta-1,3-dienyl-1H-imidazole
SMILESCCCC=CC=Cc1cnc[nH]1
InChIInChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h4-9H,2-3H2,1H3,(H,11,12)
InChIKeyDYFFIWNDYDXACP-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.78
Rot. Bonds4

About 5-hepta-1,3-dienyl-1H-imidazole

5-hepta-1,3-dienyl-1H-imidazole (PubChem CID 137333497) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-hepta-1,3-dienyl-1H-imidazole.

Molecular Properties

Compound Name5-hepta-1,3-dienyl-1H-imidazole
PubChem CID137333497
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-hepta-1,3-dienyl-1H-imidazole
SMILESCCCC=CC=Cc1cnc[nH]1
InChIInChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h4-9H,2-3H2,1H3,(H,11,12)
InChIKeyDYFFIWNDYDXACP-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.78
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 5-hepta-1,3-dienyl-1H-imidazole?
The IUPAC name of 5-hepta-1,3-dienyl-1H-imidazole (CID 137333497) is 5-hepta-1,3-dienyl-1H-imidazole.
What is the SMILES notation for 5-hepta-1,3-dienyl-1H-imidazole?
The canonical SMILES for 5-hepta-1,3-dienyl-1H-imidazole is CCCC=CC=Cc1cnc[nH]1.
What is the InChIKey of 5-hepta-1,3-dienyl-1H-imidazole?
The InChIKey is DYFFIWNDYDXACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h4-9H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-hepta-1,3-dienyl-1H-imidazole?
5-hepta-1,3-dienyl-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hepta-1,3-dienyl-1H-imidazole is sourced from PubChem (CID 137333497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).