1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole

C18H28N2 — CID 54386362

IUPAC1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole
SMILESCC(C)=CCCC(C)=CCCC(C)=CCn1ccnc1
InChIInChI=1S/C18H28N2/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-13-20-14-12-19-15-20/h7,9,11-12,14-15H,5-6,8,10,13H2,1-4H3
InChIKeyVDNCQWCKAYFEFE-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.30
Rot. Bonds8

About 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole

1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole (PubChem CID 54386362) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole.

Molecular Properties

Compound Name1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole
PubChem CID54386362
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole
SMILESCC(C)=CCCC(C)=CCCC(C)=CCn1ccnc1
InChIInChI=1S/C18H28N2/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-13-20-14-12-19-15-20/h7,9,11-12,14-15H,5-6,8,10,13H2,1-4H3
InChIKeyVDNCQWCKAYFEFE-UHFFFAOYSA-N
XLogP5.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.30
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-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole?
The IUPAC name of 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole (CID 54386362) is 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole.
What is the SMILES notation for 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole?
The canonical SMILES for 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole is CC(C)=CCCC(C)=CCCC(C)=CCn1ccnc1.
What is the InChIKey of 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole?
The InChIKey is VDNCQWCKAYFEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-13-20-14-12-19-15-20/h7,9,11-12,14-15H,5-6,8,10,13H2,1-4H3.
What are the key properties of 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole?
1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole has a molecular weight of 272.44 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7,11-trimethyldodeca-2,6,10-trienyl)imidazole is sourced from PubChem (CID 54386362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).