1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole

C26H42N4 — CID 90705757

IUPAC1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole
SMILESCCCCCCCCCCn1ccnc1-c1nccn1CC=C(C)CCC=C(C)C
InChIInChI=1S/C26H42N4/c1-5-6-7-8-9-10-11-12-19-29-21-17-27-25(29)26-28-18-22-30(26)20-16-24(4)15-13-14-23(2)3/h14,16-18,21-22H,5-13,15,19-20H2,1-4H3
InChIKeyMYTLCOKCLBWSOP-UHFFFAOYSA-N
MW410.65 g/mol
LogP7.58
Rot. Bonds15

About 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole

1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole (PubChem CID 90705757) has the molecular formula C26H42N4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole
PubChem CID90705757
Molecular FormulaC26H42N4
Molecular Weight410.65 g/mol
Exact Mass410.34
IUPAC Name1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole
SMILESCCCCCCCCCCn1ccnc1-c1nccn1CC=C(C)CCC=C(C)C
InChIInChI=1S/C26H42N4/c1-5-6-7-8-9-10-11-12-19-29-21-17-27-25(29)26-28-18-22-30(26)20-16-24(4)15-13-14-23(2)3/h14,16-18,21-22H,5-13,15,19-20H2,1-4H3
InChIKeyMYTLCOKCLBWSOP-UHFFFAOYSA-N
XLogP7.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole?
The IUPAC name of 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole (CID 90705757) is 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole?
The canonical SMILES for 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole is CCCCCCCCCCn1ccnc1-c1nccn1CC=C(C)CCC=C(C)C.
What is the InChIKey of 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole?
The InChIKey is MYTLCOKCLBWSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4/c1-5-6-7-8-9-10-11-12-19-29-21-17-27-25(29)26-28-18-22-30(26)20-16-24(4)15-13-14-23(2)3/h14,16-18,21-22H,5-13,15,19-20H2,1-4H3.
What are the key properties of 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole?
1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole has a molecular weight of 410.65 g/mol, XLogP of 7.58, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-[1-(3,7-dimethylocta-2,6-dienyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 90705757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).