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

C32H48N2 — CID 69397913

IUPAC2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C32H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-27-28-34(31-24-19-16-20-25-31)32(33)29-30-22-17-15-18-23-30/h15-20,22-25,27-28,32H,2-14,21,26,29H2,1H3
InChIKeyIWIJGIGDSYQDTB-UHFFFAOYSA-N
MW460.75 g/mol
LogP9.33
Rot. Bonds18

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

2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole (PubChem CID 69397913) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
PubChem CID69397913
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC Name2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C32H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33-27-28-34(31-24-19-16-20-25-31)32(33)29-30-22-17-15-18-23-30/h15-20,22-25,27-28,32H,2-14,21,26,29H2,1H3
InChIKeyIWIJGIGDSYQDTB-UHFFFAOYSA-N
XLogP9.33
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 ≤ 59.33
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-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
2-benzyl-1-dodecyl-3-nonadecyl-2H-imidazole
CID 69388408
2-benzyl-1-decyl-3-hexadecyl-2H-imidazole
CID 69396919
1-nonadecyl-2-pentyl-3-phenyl-2H-imidazole
CID 69393582
2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole
CID 69392200
1-hexadecyl-2-octyl-3-phenyl-2H-imidazole
CID 69393141
1-heptyl-2-nonyl-3-phenyl-2H-imidazole
CID 69397163
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422
1,2-dibenzyl-3-decyl-2H-imidazole
CID 69396615
1-butyl-2-heptadecyl-3-phenyl-2H-imidazole
CID 69396809
1,2-dibenzyl-3-tetradecyl-2H-imidazole
CID 69395728
2-benzyl-1-ethyl-3-phenyl-2H-imidazole
CID 69388914

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole?
The IUPAC name of 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole (CID 69397913) is 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole.
What is the SMILES notation for 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole?
The canonical SMILES for 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C=CN(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole?
The InChIKey is IWIJGIGDSYQDTB-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(31-24-19-16-20-25-31)32(33)29-30-22-17-15-18-23-30/h15-20,22-25,27-28,32H,2-14,21,26,29H2,1H3.
What are the key properties of 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole?
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole has a molecular weight of 460.75 g/mol, XLogP of 9.33, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole is sourced from PubChem (CID 69397913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).