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

C18H28N2 — CID 14403479

IUPAC1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1C1CCCCC1
InChIInChI=1S/C18H28N2/c1-15(2)8-7-9-16(3)12-18-13-19-14-20(18)17-10-5-4-6-11-17/h8,12-14,17H,4-7,9-11H2,1-3H3/b16-12+
InChIKeyFIOGFDTVKWZONI-FOWTUZBSSA-N
MW272.44 g/mol
LogP5.54
Rot. Bonds5

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

1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole (PubChem CID 14403479) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
PubChem CID14403479
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1C1CCCCC1
InChIInChI=1S/C18H28N2/c1-15(2)8-7-9-16(3)12-18-13-19-14-20(18)17-10-5-4-6-11-17/h8,12-14,17H,4-7,9-11H2,1-3H3/b16-12+
InChIKeyFIOGFDTVKWZONI-FOWTUZBSSA-N
XLogP5.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
The IUPAC name of 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole (CID 14403479) is 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole.
What is the SMILES notation for 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
The canonical SMILES for 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole is CC(C)=CCC/C(C)=C/c1cncn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
The InChIKey is FIOGFDTVKWZONI-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(2)8-7-9-16(3)12-18-13-19-14-20(18)17-10-5-4-6-11-17/h8,12-14,17H,4-7,9-11H2,1-3H3/b16-12+.
What are the key properties of 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole?
1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole has a molecular weight of 272.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole is sourced from PubChem (CID 14403479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).