4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole

C28H20N4S — CID 7005220

IUPAC4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole
SMILESc1ccc(-c2nc(-c3cn(-c4ccccc4)nc3-c3cccs3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C28H20N4S/c1-4-11-20(12-5-1)25-26(21-13-6-2-7-14-21)30-28(29-25)23-19-32(22-15-8-3-9-16-22)31-27(23)24-17-10-18-33-24/h1-19H,(H,29,30)
InChIKeyGEPKMMRSROKYPT-UHFFFAOYSA-N
MW444.56 g/mol
LogP7.32
Rot. Bonds5

About 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole

4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole (PubChem CID 7005220) has the molecular formula C28H20N4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole
PubChem CID7005220
Molecular FormulaC28H20N4S
Molecular Weight444.56 g/mol
Exact Mass444.14
IUPAC Name4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole
SMILESc1ccc(-c2nc(-c3cn(-c4ccccc4)nc3-c3cccs3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C28H20N4S/c1-4-11-20(12-5-1)25-26(21-13-6-2-7-14-21)30-28(29-25)23-19-32(22-15-8-3-9-16-22)31-27(23)24-17-10-18-33-24/h1-19H,(H,29,30)
InChIKeyGEPKMMRSROKYPT-UHFFFAOYSA-N
XLogP7.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole (CID 7005220) is 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole is c1ccc(-c2nc(-c3cn(-c4ccccc4)nc3-c3cccs3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole?
The InChIKey is GEPKMMRSROKYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4S/c1-4-11-20(12-5-1)25-26(21-13-6-2-7-14-21)30-28(29-25)23-19-32(22-15-8-3-9-16-22)31-27(23)24-17-10-18-33-24/h1-19H,(H,29,30).
What are the key properties of 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole?
4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole has a molecular weight of 444.56 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1H-imidazole is sourced from PubChem (CID 7005220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).