2-docosan-10-yl-1-nonan-2-ylimidazole

C34H66N2 — CID 69405990

IUPAC2-docosan-10-yl-1-nonan-2-ylimidazole
SMILESCCCCCCCCCCCCC(CCCCCCCCC)c1nccn1C(C)CCCCCCC
InChIInChI=1S/C34H66N2/c1-5-8-11-14-16-17-18-20-23-26-29-33(28-25-22-19-15-12-9-6-2)34-35-30-31-36(34)32(4)27-24-21-13-10-7-3/h30-33H,5-29H2,1-4H3
InChIKeyIIRJUPLMDHMOHE-UHFFFAOYSA-N
MW502.92 g/mol
LogP12.34
Rot. Bonds27

About 2-docosan-10-yl-1-nonan-2-ylimidazole

2-docosan-10-yl-1-nonan-2-ylimidazole (PubChem CID 69405990) has the molecular formula C34H66N2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 2-docosan-10-yl-1-nonan-2-ylimidazole.

Molecular Properties

Compound Name2-docosan-10-yl-1-nonan-2-ylimidazole
PubChem CID69405990
Molecular FormulaC34H66N2
Molecular Weight502.92 g/mol
Exact Mass502.52
IUPAC Name2-docosan-10-yl-1-nonan-2-ylimidazole
SMILESCCCCCCCCCCCCC(CCCCCCCCC)c1nccn1C(C)CCCCCCC
InChIInChI=1S/C34H66N2/c1-5-8-11-14-16-17-18-20-23-26-29-33(28-25-22-19-15-12-9-6-2)34-35-30-31-36(34)32(4)27-24-21-13-10-7-3/h30-33H,5-29H2,1-4H3
InChIKeyIIRJUPLMDHMOHE-UHFFFAOYSA-N
XLogP12.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 512.34
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
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
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 2-docosan-10-yl-1-nonan-2-ylimidazole?
The IUPAC name of 2-docosan-10-yl-1-nonan-2-ylimidazole (CID 69405990) is 2-docosan-10-yl-1-nonan-2-ylimidazole.
What is the SMILES notation for 2-docosan-10-yl-1-nonan-2-ylimidazole?
The canonical SMILES for 2-docosan-10-yl-1-nonan-2-ylimidazole is CCCCCCCCCCCCC(CCCCCCCCC)c1nccn1C(C)CCCCCCC.
What is the InChIKey of 2-docosan-10-yl-1-nonan-2-ylimidazole?
The InChIKey is IIRJUPLMDHMOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N2/c1-5-8-11-14-16-17-18-20-23-26-29-33(28-25-22-19-15-12-9-6-2)34-35-30-31-36(34)32(4)27-24-21-13-10-7-3/h30-33H,5-29H2,1-4H3.
What are the key properties of 2-docosan-10-yl-1-nonan-2-ylimidazole?
2-docosan-10-yl-1-nonan-2-ylimidazole has a molecular weight of 502.92 g/mol, XLogP of 12.34, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-docosan-10-yl-1-nonan-2-ylimidazole is sourced from PubChem (CID 69405990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).