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

C18H28N2 — CID 70567392

IUPAC1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1ccnc1
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/b17-9+,18-11+
InChIKeyVDNCQWCKAYFEFE-XURGJTJWSA-N
MW272.44 g/mol
LogP5.30
Rot. Bonds8

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

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole (PubChem CID 70567392) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole.

Molecular Properties

Compound Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole
PubChem CID70567392
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1ccnc1
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/b17-9+,18-11+
InChIKeyVDNCQWCKAYFEFE-XURGJTJWSA-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-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole?
The IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole (CID 70567392) is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole.
What is the SMILES notation for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole?
The canonical SMILES for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole is CC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1ccnc1.
What is the InChIKey of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole?
The InChIKey is VDNCQWCKAYFEFE-XURGJTJWSA-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/b17-9+,18-11+.
What are the key properties of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole?
1-[(2E,6E)-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-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole is sourced from PubChem (CID 70567392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).