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

C32H48N2 — CID 69396098

IUPAC1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-27-28-34(29-30-22-17-15-18-23-30)32(33)31-24-19-16-20-25-31/h15-20,22-25,27-28,32H,2-14,21,26,29H2,1H3
InChIKeyJAKYNJLXYXOGEK-UHFFFAOYSA-N
MW460.75 g/mol
LogP9.46
Rot. Bonds18

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

1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole (PubChem CID 69396098) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
PubChem CID69396098
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC Name1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C32H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-27-28-34(29-30-22-17-15-18-23-30)32(33)31-24-19-16-20-25-31/h15-20,22-25,27-28,32H,2-14,21,26,29H2,1H3
InChIKeyJAKYNJLXYXOGEK-UHFFFAOYSA-N
XLogP9.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 59.46
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-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
CID 69390233
1-heptadecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388930
1-dodecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69395234
1-nonadecyl-2-phenyl-3-undecyl-2H-imidazole
CID 69392101
1-nonadecyl-3-pentyl-2-phenyl-2H-imidazole
CID 69388313
1-butyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69390224
1-nonadecyl-2-phenyl-3-propyl-2H-imidazole
CID 69392531
1-decyl-2-phenyl-3-propyl-2H-imidazole
CID 69389510
1-benzyl-2-ethyl-3-nonyl-2H-imidazole
CID 69394728
1-benzyl-2-ethyl-3-hexadecyl-2H-imidazole
CID 69390745
1-benzyl-3-decyl-2-pentyl-2H-imidazole
CID 69395313

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole?
The IUPAC name of 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole (CID 69396098) is 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole?
The canonical SMILES for 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole?
The InChIKey is JAKYNJLXYXOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-27-28-34(29-30-22-17-15-18-23-30)32(33)31-24-19-16-20-25-31/h15-20,22-25,27-28,32H,2-14,21,26,29H2,1H3.
What are the key properties of 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole?
1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole has a molecular weight of 460.75 g/mol, XLogP of 9.46, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hexadecyl-2-phenyl-2H-imidazole is sourced from PubChem (CID 69396098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).