1-octan-2-yl-2-tridecan-2-ylimidazole

C24H46N2 — CID 69409116

IUPAC1-octan-2-yl-2-tridecan-2-ylimidazole
SMILESCCCCCCCCCCCC(C)c1nccn1C(C)CCCCCC
InChIInChI=1S/C24H46N2/c1-5-7-9-11-12-13-14-15-16-18-22(3)24-25-20-21-26(24)23(4)19-17-10-8-6-2/h20-23H,5-19H2,1-4H3
InChIKeyCEBSUVBUVONODP-UHFFFAOYSA-N
MW362.65 g/mol
LogP8.44
Rot. Bonds17

About 1-octan-2-yl-2-tridecan-2-ylimidazole

1-octan-2-yl-2-tridecan-2-ylimidazole (PubChem CID 69409116) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 1-octan-2-yl-2-tridecan-2-ylimidazole.

Molecular Properties

Compound Name1-octan-2-yl-2-tridecan-2-ylimidazole
PubChem CID69409116
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name1-octan-2-yl-2-tridecan-2-ylimidazole
SMILESCCCCCCCCCCCC(C)c1nccn1C(C)CCCCCC
InChIInChI=1S/C24H46N2/c1-5-7-9-11-12-13-14-15-16-18-22(3)24-25-20-21-26(24)23(4)19-17-10-8-6-2/h20-23H,5-19H2,1-4H3
InChIKeyCEBSUVBUVONODP-UHFFFAOYSA-N
XLogP8.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 58.44
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

1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
2-dodecan-2-yl-1-propan-2-ylimidazole
CID 69408274
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
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827
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

Frequently Asked Questions

What is the IUPAC name of 1-octan-2-yl-2-tridecan-2-ylimidazole?
The IUPAC name of 1-octan-2-yl-2-tridecan-2-ylimidazole (CID 69409116) is 1-octan-2-yl-2-tridecan-2-ylimidazole.
What is the SMILES notation for 1-octan-2-yl-2-tridecan-2-ylimidazole?
The canonical SMILES for 1-octan-2-yl-2-tridecan-2-ylimidazole is CCCCCCCCCCCC(C)c1nccn1C(C)CCCCCC.
What is the InChIKey of 1-octan-2-yl-2-tridecan-2-ylimidazole?
The InChIKey is CEBSUVBUVONODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-5-7-9-11-12-13-14-15-16-18-22(3)24-25-20-21-26(24)23(4)19-17-10-8-6-2/h20-23H,5-19H2,1-4H3.
What are the key properties of 1-octan-2-yl-2-tridecan-2-ylimidazole?
1-octan-2-yl-2-tridecan-2-ylimidazole has a molecular weight of 362.65 g/mol, XLogP of 8.44, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-2-yl-2-tridecan-2-ylimidazole is sourced from PubChem (CID 69409116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).