1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

C25H23FN4O2S — CID 118737474

IUPAC1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O2S/c1-4-7-23-28-24-16(2)14-17(25-27-20-8-5-6-9-21(20)29(25)3)15-22(24)30(23)33(31,32)19-12-10-18(26)11-13-19/h5-6,8-15H,4,7H2,1-3H3
InChIKeyFIJIOLWTMKZWOP-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.23
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (PubChem CID 118737474) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
PubChem CID118737474
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H23FN4O2S/c1-4-7-23-28-24-16(2)14-17(25-27-20-8-5-6-9-21(20)29(25)3)15-22(24)30(23)33(31,32)19-12-10-18(26)11-13-19/h5-6,8-15H,4,7H2,1-3H3
InChIKeyFIJIOLWTMKZWOP-UHFFFAOYSA-N
XLogP5.23
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-Methyl-N-{2-methyl-4-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-2-phenylbutyl}benzenesulfonamide
CID 50942877
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
6-[2-tert-butyl-5-(2,4-difluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11157370
6-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-1-(propane-2-sulfonyl)-1H-benzoimidazol-2-ylamine
CID 11202500
6-[5-(4-Fluoro-phenyl)-3-methyl-3H-imidazol-4-yl]-1-(propane-2-sulfonyl)-1H-benzoimidazol-2-ylamine
CID 11281388
1-methyl-2-(4-tosylpiperazin-1-yl)-1H-benzo[d]imidazole
CID 16812383
N-Cyclohexyl-N-methyl-4-(2-methyl-benzoimidazol-1-ylmethyl)-benzenesulfonamide
CID 44284466
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007900
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 59177003
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (CID 118737474) is 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The InChIKey is FIJIOLWTMKZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-4-7-23-28-24-16(2)14-17(25-27-20-8-5-6-9-21(20)29(25)3)15-22(24)30(23)33(31,32)19-12-10-18(26)11-13-19/h5-6,8-15H,4,7H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole has a molecular weight of 462.55 g/mol, XLogP of 5.23, 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-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is sourced from PubChem (CID 118737474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).