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

C30H21FN4 — CID 11840872

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C30H21FN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33)
InChIKeyLOXAKXTYWBNBCL-UHFFFAOYSA-N
MW456.52 g/mol
LogP7.40
Rot. Bonds5

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

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole (PubChem CID 11840872) has the molecular formula C30H21FN4 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
PubChem CID11840872
Molecular FormulaC30H21FN4
Molecular Weight456.52 g/mol
Exact Mass456.18
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C30H21FN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33)
InChIKeyLOXAKXTYWBNBCL-UHFFFAOYSA-N
XLogP7.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 57.40
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-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole (CID 11840872) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The InChIKey is LOXAKXTYWBNBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33).
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole has a molecular weight of 456.52 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 11840872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).