2-decan-2-yl-1-nonadecan-2-ylimidazole

C32H62N2 — CID 69408162

IUPAC2-decan-2-yl-1-nonadecan-2-ylimidazole
SMILESCCCCCCCCCCCCCCCCCC(C)n1ccnc1C(C)CCCCCCCC
InChIInChI=1S/C32H62N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-31(4)34-29-28-33-32(34)30(3)26-24-22-12-10-8-6-2/h28-31H,5-27H2,1-4H3
InChIKeyJLUOQGLFHKYTPR-UHFFFAOYSA-N
MW474.86 g/mol
LogP11.56
Rot. Bonds25

About 2-decan-2-yl-1-nonadecan-2-ylimidazole

2-decan-2-yl-1-nonadecan-2-ylimidazole (PubChem CID 69408162) has the molecular formula C32H62N2 and a molecular weight of 474.86 g/mol. Its IUPAC name is 2-decan-2-yl-1-nonadecan-2-ylimidazole.

Molecular Properties

Compound Name2-decan-2-yl-1-nonadecan-2-ylimidazole
PubChem CID69408162
Molecular FormulaC32H62N2
Molecular Weight474.86 g/mol
Exact Mass474.49
IUPAC Name2-decan-2-yl-1-nonadecan-2-ylimidazole
SMILESCCCCCCCCCCCCCCCCCC(C)n1ccnc1C(C)CCCCCCCC
InChIInChI=1S/C32H62N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-31(4)34-29-28-33-32(34)30(3)26-24-22-12-10-8-6-2/h28-31H,5-27H2,1-4H3
InChIKeyJLUOQGLFHKYTPR-UHFFFAOYSA-N
XLogP11.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 511.56
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
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
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 2-decan-2-yl-1-nonadecan-2-ylimidazole?
The IUPAC name of 2-decan-2-yl-1-nonadecan-2-ylimidazole (CID 69408162) is 2-decan-2-yl-1-nonadecan-2-ylimidazole.
What is the SMILES notation for 2-decan-2-yl-1-nonadecan-2-ylimidazole?
The canonical SMILES for 2-decan-2-yl-1-nonadecan-2-ylimidazole is CCCCCCCCCCCCCCCCCC(C)n1ccnc1C(C)CCCCCCCC.
What is the InChIKey of 2-decan-2-yl-1-nonadecan-2-ylimidazole?
The InChIKey is JLUOQGLFHKYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-31(4)34-29-28-33-32(34)30(3)26-24-22-12-10-8-6-2/h28-31H,5-27H2,1-4H3.
What are the key properties of 2-decan-2-yl-1-nonadecan-2-ylimidazole?
2-decan-2-yl-1-nonadecan-2-ylimidazole has a molecular weight of 474.86 g/mol, XLogP of 11.56, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yl-1-nonadecan-2-ylimidazole is sourced from PubChem (CID 69408162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).