1-nonadecan-2-yl-2-tridecan-2-ylimidazole

C35H68N2 — CID 69408935

IUPAC1-nonadecan-2-yl-2-tridecan-2-ylimidazole
SMILESCCCCCCCCCCCCCCCCCC(C)n1ccnc1C(C)CCCCCCCCCCC
InChIInChI=1S/C35H68N2/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(4)37-32-31-36-35(37)33(3)29-27-25-23-21-14-12-10-8-6-2/h31-34H,5-30H2,1-4H3
InChIKeyOUEPCKZMECGGPJ-UHFFFAOYSA-N
MW516.94 g/mol
LogP12.73
Rot. Bonds28

About 1-nonadecan-2-yl-2-tridecan-2-ylimidazole

1-nonadecan-2-yl-2-tridecan-2-ylimidazole (PubChem CID 69408935) has the molecular formula C35H68N2 and a molecular weight of 516.94 g/mol. Its IUPAC name is 1-nonadecan-2-yl-2-tridecan-2-ylimidazole.

Molecular Properties

Compound Name1-nonadecan-2-yl-2-tridecan-2-ylimidazole
PubChem CID69408935
Molecular FormulaC35H68N2
Molecular Weight516.94 g/mol
Exact Mass516.54
IUPAC Name1-nonadecan-2-yl-2-tridecan-2-ylimidazole
SMILESCCCCCCCCCCCCCCCCCC(C)n1ccnc1C(C)CCCCCCCCCCC
InChIInChI=1S/C35H68N2/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(4)37-32-31-36-35(37)33(3)29-27-25-23-21-14-12-10-8-6-2/h31-34H,5-30H2,1-4H3
InChIKeyOUEPCKZMECGGPJ-UHFFFAOYSA-N
XLogP12.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.94
LogP ≤ 512.73
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-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
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-nonadecan-2-yl-2-tridecan-2-ylimidazole?
The IUPAC name of 1-nonadecan-2-yl-2-tridecan-2-ylimidazole (CID 69408935) is 1-nonadecan-2-yl-2-tridecan-2-ylimidazole.
What is the SMILES notation for 1-nonadecan-2-yl-2-tridecan-2-ylimidazole?
The canonical SMILES for 1-nonadecan-2-yl-2-tridecan-2-ylimidazole is CCCCCCCCCCCCCCCCCC(C)n1ccnc1C(C)CCCCCCCCCCC.
What is the InChIKey of 1-nonadecan-2-yl-2-tridecan-2-ylimidazole?
The InChIKey is OUEPCKZMECGGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N2/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(4)37-32-31-36-35(37)33(3)29-27-25-23-21-14-12-10-8-6-2/h31-34H,5-30H2,1-4H3.
What are the key properties of 1-nonadecan-2-yl-2-tridecan-2-ylimidazole?
1-nonadecan-2-yl-2-tridecan-2-ylimidazole has a molecular weight of 516.94 g/mol, XLogP of 12.73, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonadecan-2-yl-2-tridecan-2-ylimidazole is sourced from PubChem (CID 69408935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).