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

C29H21FN4O2S — CID 155559230

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

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

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

Launch Full Analysis

Related Compounds

2-[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 155531522
1-(4-bromophenyl)sulfonyl-2-[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzimidazole
CID 155514606
6-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-(4-methylphenyl)-1H-pyrimidine-2-thione
CID 57394189
1-but-3-en-2-yl-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 164624743
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
CID 177397978
[2-[1-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]benzimidazol-1-yl]-pyridin-4-ylmethanone
CID 155520638
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1-prop-2-ynylbenzimidazole
CID 164615246
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 2104091
2-(2,2-diphenylethenyl)-1-(4-methylphenyl)sulfonylbenzimidazole
CID 122223410
4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 71844173

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).