2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole

C31H24N4 — CID 11840871

IUPAC2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C31H24N4/c1-22-17-19-25(20-18-22)28-27(21-35(34-28)26-15-9-4-10-16-26)31-32-29(23-11-5-2-6-12-23)30(33-31)24-13-7-3-8-14-24/h2-21H,1H3,(H,32,33)
InChIKeyCFQTWHLJOZICNW-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.57
Rot. Bonds5

About 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole

2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole (PubChem CID 11840871) has the molecular formula C31H24N4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
PubChem CID11840871
Molecular FormulaC31H24N4
Molecular Weight452.56 g/mol
Exact Mass452.20
IUPAC Name2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C31H24N4/c1-22-17-19-25(20-18-22)28-27(21-35(34-28)26-15-9-4-10-16-26)31-32-29(23-11-5-2-6-12-23)30(33-31)24-13-7-3-8-14-24/h2-21H,1H3,(H,32,33)
InChIKeyCFQTWHLJOZICNW-UHFFFAOYSA-N
XLogP7.57
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole (CID 11840871) is 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole is Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The InChIKey is CFQTWHLJOZICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4/c1-22-17-19-25(20-18-22)28-27(21-35(34-28)26-15-9-4-10-16-26)31-32-29(23-11-5-2-6-12-23)30(33-31)24-13-7-3-8-14-24/h2-21H,1H3,(H,32,33).
What are the key properties of 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole has a molecular weight of 452.56 g/mol, XLogP of 7.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 11840871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).