5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole

C18H30N2 — CID 14403475

IUPAC5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole
SMILESCCCCCCn1cncc1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H30N2/c1-5-6-7-8-12-20-15-19-14-18(20)13-17(4)11-9-10-16(2)3/h10,13-15H,5-9,11-12H2,1-4H3/b17-13+
InChIKeyWMDARKCQQOABRT-GHRIWEEISA-N
MW274.45 g/mol
LogP5.61
Rot. Bonds9

About 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole

5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole (PubChem CID 14403475) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole.

Molecular Properties

Compound Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole
PubChem CID14403475
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole
SMILESCCCCCCn1cncc1/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H30N2/c1-5-6-7-8-12-20-15-19-14-18(20)13-17(4)11-9-10-16(2)3/h10,13-15H,5-9,11-12H2,1-4H3/b17-13+
InChIKeyWMDARKCQQOABRT-GHRIWEEISA-N
XLogP5.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole 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 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole?
The IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole (CID 14403475) is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole.
What is the SMILES notation for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole?
The canonical SMILES for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole is CCCCCCn1cncc1/C=C(\C)CCC=C(C)C.
What is the InChIKey of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole?
The InChIKey is WMDARKCQQOABRT-GHRIWEEISA-N. The full InChI is InChI=1S/C18H30N2/c1-5-6-7-8-12-20-15-19-14-18(20)13-17(4)11-9-10-16(2)3/h10,13-15H,5-9,11-12H2,1-4H3/b17-13+.
What are the key properties of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole?
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole has a molecular weight of 274.45 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-hexylimidazole is sourced from PubChem (CID 14403475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).