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

C31H24N4O — CID 4869116

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C31H24N4O/c1-36-26-19-17-24(18-20-26)28-27(21-35(34-28)25-15-9-4-10-16-25)31-32-29(22-11-5-2-6-12-22)30(33-31)23-13-7-3-8-14-23/h2-21H,1H3,(H,32,33)
InChIKeyMTVKCBZVVKFTEM-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.27
Rot. Bonds6

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

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole (PubChem CID 4869116) has the molecular formula C31H24N4O and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
PubChem CID4869116
Molecular FormulaC31H24N4O
Molecular Weight468.56 g/mol
Exact Mass468.20
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C31H24N4O/c1-36-26-19-17-24(18-20-26)28-27(21-35(34-28)25-15-9-4-10-16-25)31-32-29(22-11-5-2-6-12-22)30(33-31)23-13-7-3-8-14-23/h2-21H,1H3,(H,32,33)
InChIKeyMTVKCBZVVKFTEM-UHFFFAOYSA-N
XLogP7.27
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-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 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole (CID 4869116) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
The InChIKey is MTVKCBZVVKFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O/c1-36-26-19-17-24(18-20-26)28-27(21-35(34-28)25-15-9-4-10-16-25)31-32-29(22-11-5-2-6-12-22)30(33-31)23-13-7-3-8-14-23/h2-21H,1H3,(H,32,33).
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole has a molecular weight of 468.56 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 4869116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).