1-pentadecan-2-yl-2-pentadecan-7-ylimidazole

C33H64N2 — CID 69405827

IUPAC1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
SMILESCCCCCCCCCCCCCC(C)n1ccnc1C(CCCCCC)CCCCCCCC
InChIInChI=1S/C33H64N2/c1-5-8-11-14-16-17-18-19-20-21-23-26-31(4)35-30-29-34-33(35)32(27-24-13-10-7-3)28-25-22-15-12-9-6-2/h29-32H,5-28H2,1-4H3
InChIKeyUCAGFKIDOPJYGG-UHFFFAOYSA-N
MW488.89 g/mol
LogP11.95
Rot. Bonds26

About 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole

1-pentadecan-2-yl-2-pentadecan-7-ylimidazole (PubChem CID 69405827) has the molecular formula C33H64N2 and a molecular weight of 488.89 g/mol. Its IUPAC name is 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole.

Molecular Properties

Compound Name1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
PubChem CID69405827
Molecular FormulaC33H64N2
Molecular Weight488.89 g/mol
Exact Mass488.51
IUPAC Name1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
SMILESCCCCCCCCCCCCCC(C)n1ccnc1C(CCCCCC)CCCCCCCC
InChIInChI=1S/C33H64N2/c1-5-8-11-14-16-17-18-19-20-21-23-26-31(4)35-30-29-34-33(35)32(27-24-13-10-7-3)28-25-22-15-12-9-6-2/h29-32H,5-28H2,1-4H3
InChIKeyUCAGFKIDOPJYGG-UHFFFAOYSA-N
XLogP11.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
2-henicosan-6-yl-1-nonadecan-2-ylimidazole
CID 69406536
1-nonadecan-2-yl-2-triacontan-12-ylimidazole
CID 69403792
1-pentadecan-2-yl-2-tetratriacontan-17-ylimidazole
CID 69406632
1-heptadecan-2-yl-2-nonan-5-ylimidazole
CID 69408665
1-heptadecan-2-yl-2-icosan-5-ylimidazole
CID 69405670
2-docosan-4-yl-1-pentadecan-2-ylimidazole
CID 69408577
2-docosan-4-yl-1-heptan-2-ylimidazole
CID 69407508

Frequently Asked Questions

What is the IUPAC name of 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole?
The IUPAC name of 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole (CID 69405827) is 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole.
What is the SMILES notation for 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole?
The canonical SMILES for 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole is CCCCCCCCCCCCCC(C)n1ccnc1C(CCCCCC)CCCCCCCC.
What is the InChIKey of 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole?
The InChIKey is UCAGFKIDOPJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64N2/c1-5-8-11-14-16-17-18-19-20-21-23-26-31(4)35-30-29-34-33(35)32(27-24-13-10-7-3)28-25-22-15-12-9-6-2/h29-32H,5-28H2,1-4H3.
What are the key properties of 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole?
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole has a molecular weight of 488.89 g/mol, XLogP of 11.95, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecan-2-yl-2-pentadecan-7-ylimidazole is sourced from PubChem (CID 69405827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).