5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole

C17H28N2 — CID 14403477

IUPAC5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1CCC(C)C
InChIInChI=1S/C17H28N2/c1-14(2)7-6-8-16(5)11-17-12-18-13-19(17)10-9-15(3)4/h7,11-13,15H,6,8-10H2,1-5H3/b16-11+
InChIKeyFCSZVOMCNPSFBC-LFIBNONCSA-N
MW260.42 g/mol
LogP5.08
Rot. Bonds7

About 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole

5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole (PubChem CID 14403477) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole.

Molecular Properties

Compound Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole
PubChem CID14403477
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole
SMILESCC(C)=CCC/C(C)=C/c1cncn1CCC(C)C
InChIInChI=1S/C17H28N2/c1-14(2)7-6-8-16(5)11-17-12-18-13-19(17)10-9-15(3)4/h7,11-13,15H,6,8-10H2,1-5H3/b16-11+
InChIKeyFCSZVOMCNPSFBC-LFIBNONCSA-N
XLogP5.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.08
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 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole?
The IUPAC name of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole (CID 14403477) is 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole.
What is the SMILES notation for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole?
The canonical SMILES for 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole is CC(C)=CCC/C(C)=C/c1cncn1CCC(C)C.
What is the InChIKey of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole?
The InChIKey is FCSZVOMCNPSFBC-LFIBNONCSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)7-6-8-16(5)11-17-12-18-13-19(17)10-9-15(3)4/h7,11-13,15H,6,8-10H2,1-5H3/b16-11+.
What are the key properties of 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole?
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(3-methylbutyl)imidazole has a molecular weight of 260.42 g/mol, XLogP of 5.08, 7 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-(3-methylbutyl)imidazole is sourced from PubChem (CID 14403477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).