1-penta-1,4-dienylimidazole

C8H10N2 — CID 66665708

IUPAC1-penta-1,4-dienylimidazole
SMILESC=CCC=Cn1ccnc1
InChIInChI=1S/C8H10N2/c1-2-3-4-6-10-7-5-9-8-10/h2,4-8H,1,3H2
InChIKeyPCKDUKJUCCFASK-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.93
Rot. Bonds3

About 1-penta-1,4-dienylimidazole

1-penta-1,4-dienylimidazole (PubChem CID 66665708) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-penta-1,4-dienylimidazole.

Molecular Properties

Compound Name1-penta-1,4-dienylimidazole
PubChem CID66665708
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-penta-1,4-dienylimidazole
SMILESC=CCC=Cn1ccnc1
InChIInChI=1S/C8H10N2/c1-2-3-4-6-10-7-5-9-8-10/h2,4-8H,1,3H2
InChIKeyPCKDUKJUCCFASK-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-penta-1,4-dienylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dienylimidazole?
The IUPAC name of 1-penta-1,4-dienylimidazole (CID 66665708) is 1-penta-1,4-dienylimidazole.
What is the SMILES notation for 1-penta-1,4-dienylimidazole?
The canonical SMILES for 1-penta-1,4-dienylimidazole is C=CCC=Cn1ccnc1.
What is the InChIKey of 1-penta-1,4-dienylimidazole?
The InChIKey is PCKDUKJUCCFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-6-10-7-5-9-8-10/h2,4-8H,1,3H2.
What are the key properties of 1-penta-1,4-dienylimidazole?
1-penta-1,4-dienylimidazole has a molecular weight of 134.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dienylimidazole is sourced from PubChem (CID 66665708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).