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

C38H68N2 — CID 69392200

IUPAC2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCCC)C=CN1c1ccccc1
InChIInChI=1S/C38H68N2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-29-33-38-39(35-36-40(38)37-31-27-26-28-32-37)34-30-25-23-21-19-14-12-10-8-6-4-2/h26-28,31-32,35-36,38H,3-25,29-30,33-34H2,1-2H3
InChIKeyCGFDGQGTZOBXFT-UHFFFAOYSA-N
MW552.98 g/mol
LogP12.79
Rot. Bonds28

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

2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole (PubChem CID 69392200) has the molecular formula C38H68N2 and a molecular weight of 552.98 g/mol. Its IUPAC name is 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole
PubChem CID69392200
Molecular FormulaC38H68N2
Molecular Weight552.98 g/mol
Exact Mass552.54
IUPAC Name2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCCC)C=CN1c1ccccc1
InChIInChI=1S/C38H68N2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-29-33-38-39(35-36-40(38)37-31-27-26-28-32-37)34-30-25-23-21-19-14-12-10-8-6-4-2/h26-28,31-32,35-36,38H,3-25,29-30,33-34H2,1-2H3
InChIKeyCGFDGQGTZOBXFT-UHFFFAOYSA-N
XLogP12.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.98
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nonadecyl-2-pentyl-3-phenyl-2H-imidazole
CID 69393582
1-hexadecyl-2-octyl-3-phenyl-2H-imidazole
CID 69393141
1-heptyl-2-nonyl-3-phenyl-2H-imidazole
CID 69397163
1-butyl-2-heptadecyl-3-phenyl-2H-imidazole
CID 69396809
2-butyl-1-phenyl-3-propyl-2H-imidazole
CID 69395415
2-benzyl-1-heptadecyl-3-phenyl-2H-imidazole
CID 69389731
2-benzyl-1-hexadecyl-3-phenyl-2H-imidazole
CID 69397913
1-phenyl-2,3-dipropyl-2H-imidazole
CID 69387421
1-benzyl-3-hexyl-2-undecyl-2H-imidazole
CID 69393351
1-benzyl-3-heptadecyl-2-octadecyl-2H-imidazole
CID 69396806
1-benzyl-2-hexyl-3-undecyl-2H-imidazole
CID 69393287
1-benzyl-3-nonyl-2-tetradecyl-2H-imidazole
CID 69390008

Frequently Asked Questions

What is the IUPAC name of 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole?
The IUPAC name of 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole (CID 69392200) is 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCCCC1N(CCCCCCCCCCCCC)C=CN1c1ccccc1.
What is the InChIKey of 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole?
The InChIKey is CGFDGQGTZOBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H68N2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-29-33-38-39(35-36-40(38)37-31-27-26-28-32-37)34-30-25-23-21-19-14-12-10-8-6-4-2/h26-28,31-32,35-36,38H,3-25,29-30,33-34H2,1-2H3.
What are the key properties of 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole?
2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole has a molecular weight of 552.98 g/mol, XLogP of 12.79, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-1-phenyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69392200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).