2-benzyl-1-decyl-3-hexadecyl-2H-imidazole

C36H64N2 — CID 69396919

IUPAC2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1Cc1ccccc1
InChIInChI=1S/C36H64N2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-27-31-38-33-32-37(30-26-21-19-12-10-8-6-4-2)36(38)34-35-28-24-23-25-29-35/h23-25,28-29,32-33,36H,3-22,26-27,30-31,34H2,1-2H3
InChIKeyXVKYHMOIYONJHW-UHFFFAOYSA-N
MW524.92 g/mol
LogP11.27
Rot. Bonds26

About 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole

2-benzyl-1-decyl-3-hexadecyl-2H-imidazole (PubChem CID 69396919) has the molecular formula C36H64N2 and a molecular weight of 524.92 g/mol. Its IUPAC name is 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole.

Molecular Properties

Compound Name2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
PubChem CID69396919
Molecular FormulaC36H64N2
Molecular Weight524.92 g/mol
Exact Mass524.51
IUPAC Name2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1Cc1ccccc1
InChIInChI=1S/C36H64N2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-27-31-38-33-32-37(30-26-21-19-12-10-8-6-4-2)36(38)34-35-28-24-23-25-29-35/h23-25,28-29,32-33,36H,3-22,26-27,30-31,34H2,1-2H3
InChIKeyXVKYHMOIYONJHW-UHFFFAOYSA-N
XLogP11.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.92
LogP ≤ 511.27
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-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
1,2-dibenzyl-3-pentyl-2H-imidazole
CID 69393781
2-benzyl-1-butyl-3-ethyl-2H-imidazole
CID 69392912
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
2-benzyl-1-hexyl-3-propan-2-yl-2H-imidazole
CID 69391251
2-benzyl-1-butyl-3-methyl-2H-imidazole
CID 69392411
1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
CID 69390745
1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole?
The IUPAC name of 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole (CID 69396919) is 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole.
What is the SMILES notation for 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole?
The canonical SMILES for 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole?
The InChIKey is XVKYHMOIYONJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-27-31-38-33-32-37(30-26-21-19-12-10-8-6-4-2)36(38)34-35-28-24-23-25-29-35/h23-25,28-29,32-33,36H,3-22,26-27,30-31,34H2,1-2H3.
What are the key properties of 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole?
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole has a molecular weight of 524.92 g/mol, XLogP of 11.27, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-decyl-3-hexadecyl-2H-imidazole is sourced from PubChem (CID 69396919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).