4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole

C36H26N4 — CID 126842735

IUPAC4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole
SMILESc1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1
InChIInChI=1S/C36H26N4/c1-5-13-26(14-6-1)27-21-23-30(24-22-27)33-32(25-40(39-33)31-19-11-4-12-20-31)36-37-34(28-15-7-2-8-16-28)35(38-36)29-17-9-3-10-18-29/h1-25H,(H,37,38)
InChIKeyRQMQPHVXGUGBHI-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.93
Rot. Bonds6

About 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole

4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole (PubChem CID 126842735) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole
PubChem CID126842735
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole
SMILESc1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1
InChIInChI=1S/C36H26N4/c1-5-13-26(14-6-1)27-21-23-30(24-22-27)33-32(25-40(39-33)31-19-11-4-12-20-31)36-37-34(28-15-7-2-8-16-28)35(38-36)29-17-9-3-10-18-29/h1-25H,(H,37,38)
InChIKeyRQMQPHVXGUGBHI-UHFFFAOYSA-N
XLogP8.93
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole (CID 126842735) is 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole is c1ccc(-c2ccc(-c3nn(-c4ccccc4)cc3-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole?
The InChIKey is RQMQPHVXGUGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-5-13-26(14-6-1)27-21-23-30(24-22-27)33-32(25-40(39-33)31-19-11-4-12-20-31)36-37-34(28-15-7-2-8-16-28)35(38-36)29-17-9-3-10-18-29/h1-25H,(H,37,38).
What are the key properties of 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole?
4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole has a molecular weight of 514.63 g/mol, XLogP of 8.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]-1H-imidazole is sourced from PubChem (CID 126842735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).