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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Related Compounds

4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766171
US9096589, 8-Methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257821
8-methyl-N-(1-methylpyrazol-4-yl)-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059465
US8927738, 5,8-Dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 71059830
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3-diphenyl-1H-pyrazole
CID 11840873
3-([1,1'-Biphenyl]-4-yl)-4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenyl-1H-pyrazole (2g)
CID 126842735
2-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-1,3-benzodiazole
CID 7996519

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).