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

C36H64N2 — CID 69390233

IUPAC2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1c1ccccc1
InChIInChI=1S/C36H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-38-34-33-37(36(38)35-29-25-24-26-30-35)31-27-22-20-18-16-14-12-10-8-6-4-2/h24-26,29-30,33-34,36H,3-23,27-28,31-32H2,1-2H3
InChIKeyYEKQCFYLUMFRJI-UHFFFAOYSA-N
MW524.92 g/mol
LogP11.79
Rot. Bonds26

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

2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole (PubChem CID 69390233) has the molecular formula C36H64N2 and a molecular weight of 524.92 g/mol. Its IUPAC name is 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole.

Molecular Properties

Compound Name2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
PubChem CID69390233
Molecular FormulaC36H64N2
Molecular Weight524.92 g/mol
Exact Mass524.51
IUPAC Name2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole
SMILESCCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1c1ccccc1
InChIInChI=1S/C36H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-38-34-33-37(36(38)35-29-25-24-26-30-35)31-27-22-20-18-16-14-12-10-8-6-4-2/h24-26,29-30,33-34,36H,3-23,27-28,31-32H2,1-2H3
InChIKeyYEKQCFYLUMFRJI-UHFFFAOYSA-N
XLogP11.79
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 ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-tetradecyl-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-dodecyl-3-nonadecyl-2-phenyl-2H-imidazole
CID 69388228
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-3-hexadecyl-2-phenyl-2H-imidazole
CID 69396098
1-dodecyl-2-phenyl-3-propan-2-yl-2H-imidazole
CID 69394417
1-butyl-3-(pentoxymethyl)-2-phenyl-2H-imidazole
CID 71340636
1-butyl-2,3-diphenyl-2H-imidazole
CID 69391122

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole?
The IUPAC name of 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole (CID 69390233) is 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole.
What is the SMILES notation for 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole?
The canonical SMILES for 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole is CCCCCCCCCCCCCCN1C=CN(CCCCCCCCCCCCC)C1c1ccccc1.
What is the InChIKey of 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole?
The InChIKey is YEKQCFYLUMFRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N2/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-38-34-33-37(36(38)35-29-25-24-26-30-35)31-27-22-20-18-16-14-12-10-8-6-4-2/h24-26,29-30,33-34,36H,3-23,27-28,31-32H2,1-2H3.
What are the key properties of 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole?
2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole has a molecular weight of 524.92 g/mol, XLogP of 11.79, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-tetradecyl-3-tridecyl-2H-imidazole is sourced from PubChem (CID 69390233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).