2,4,5-triphenyl-1H-imidazole

C21H16N2 — CID 10232

IUPAC2,4,5-triphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
InChIKeyRNIPJYFZGXJSDD-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.41
Rot. Bonds3

About 2,4,5-triphenyl-1H-imidazole

2,4,5-triphenyl-1H-imidazole (PubChem CID 10232) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,4,5-triphenyl-1H-imidazole.

Molecular Properties

Compound Name2,4,5-triphenyl-1H-imidazole
PubChem CID10232
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name2,4,5-triphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
InChIKeyRNIPJYFZGXJSDD-UHFFFAOYSA-N
XLogP5.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-1H-imidazole?
The IUPAC name of 2,4,5-triphenyl-1H-imidazole (CID 10232) is 2,4,5-triphenyl-1H-imidazole.
What is the SMILES notation for 2,4,5-triphenyl-1H-imidazole?
The canonical SMILES for 2,4,5-triphenyl-1H-imidazole is c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2,4,5-triphenyl-1H-imidazole?
The InChIKey is RNIPJYFZGXJSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23).
What are the key properties of 2,4,5-triphenyl-1H-imidazole?
2,4,5-triphenyl-1H-imidazole has a molecular weight of 296.37 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 10232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).