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1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole

C29H21FN4O2S — CID 155559230

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H21FN4O2S/c1-20-11-13-21(14-12-20)28-25(19-33(32-28)23-7-3-2-4-8-23)29-31-26-9-5-6-10-27(26)34(29)37(35,36)24-17-15-22(30)16-18-24/h2-19H,1H3
InChIKeyPMMFGUUBZOWUOC-UHFFFAOYSA-N
MW508.58 g/mol
LogP6.24
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole

1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole (PubChem CID 155559230) has the molecular formula C29H21FN4O2S and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole
PubChem CID155559230
Molecular FormulaC29H21FN4O2S
Molecular Weight508.58 g/mol
Exact Mass508.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H21FN4O2S/c1-20-11-13-21(14-12-20)28-25(19-33(32-28)23-7-3-2-4-8-23)29-31-26-9-5-6-10-27(26)34(29)37(35,36)24-17-15-22(30)16-18-24/h2-19H,1H3
InChIKeyPMMFGUUBZOWUOC-UHFFFAOYSA-N
XLogP6.24
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole (CID 155559230) is 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole is Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The InChIKey is PMMFGUUBZOWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN4O2S/c1-20-11-13-21(14-12-20)28-25(19-33(32-28)23-7-3-2-4-8-23)29-31-26-9-5-6-10-27(26)34(29)37(35,36)24-17-15-22(30)16-18-24/h2-19H,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole has a molecular weight of 508.58 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzimidazole is sourced from PubChem (CID 155559230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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