2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide

C49H37N7O4S2 — CID 159815532

IUPAC2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2nc3ncccc3n2-c2ccc(-c3ccccc3)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3cccnc3n2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H19N3O2S.C24H18N4O2S/c1-31(29,30)22-15-11-20(12-16-22)25-27-24-23(8-5-17-26-24)28(25)21-13-9-19(10-14-21)18-6-3-2-4-7-18;25-31(29,30)21-14-10-19(11-15-21)23-27-22-7-4-16-26-24(22)28(23)20-12-8-18(9-13-20)17-5-2-1-3-6-17/h2-17H,1H3;1-16H,(H2,25,29,30)
InChIKeyNLOLABNKYHKOPC-UHFFFAOYSA-N
MW852.01 g/mol
LogP9.56
Rot. Bonds8

About 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide

2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide (PubChem CID 159815532) has the molecular formula C49H37N7O4S2 and a molecular weight of 852.01 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide
PubChem CID159815532
Molecular FormulaC49H37N7O4S2
Molecular Weight852.01 g/mol
Exact Mass851.23
IUPAC Name2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2nc3ncccc3n2-c2ccc(-c3ccccc3)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3cccnc3n2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H19N3O2S.C24H18N4O2S/c1-31(29,30)22-15-11-20(12-16-22)25-27-24-23(8-5-17-26-24)28(25)21-13-9-19(10-14-21)18-6-3-2-4-7-18;25-31(29,30)21-14-10-19(11-15-21)23-27-22-7-4-16-26-24(22)28(23)20-12-8-18(9-13-20)17-5-2-1-3-6-17/h2-17H,1H3;1-16H,(H2,25,29,30)
InChIKeyNLOLABNKYHKOPC-UHFFFAOYSA-N
XLogP9.56
TPSA155.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.01
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]-N-phenylaniline
CID 58317784
2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
CID 159647025
2-[2,6-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)-4-pyridinyl]-3-phenylimidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-methylphenyl)-2-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;1-phenyl-2-[3-[3-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-[4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-phenylphenyl)-2-[4-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-phenylphenyl)-2-[4-[4-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 160994200
2-[3,5-bis[1-(4-tert-butylphenyl)benzimidazol-2-yl]phenyl]-1-(4-tert-butylphenyl)benzimidazole;2-[3,5-bis[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]-1-(2-phenylphenyl)benzimidazole;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis[3-(3-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(3-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 157317706
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 58803402
[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
CID 58317775
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 161035576
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
4-(2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164759
2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine;2,7-ditert-butyl-9,9-dimethyl-10-[4-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]acridine
CID 158179456

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide (CID 159815532) is 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2nc3ncccc3n2-c2ccc(-c3ccccc3)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3cccnc3n2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide?
The InChIKey is NLOLABNKYHKOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S.C24H18N4O2S/c1-31(29,30)22-15-11-20(12-16-22)25-27-24-23(8-5-17-26-24)28(25)21-13-9-19(10-14-21)18-6-3-2-4-7-18;25-31(29,30)21-14-10-19(11-15-21)23-27-22-7-4-16-26-24(22)28(23)20-12-8-18(9-13-20)17-5-2-1-3-6-17/h2-17H,1H3;1-16H,(H2,25,29,30).
What are the key properties of 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide?
2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide has a molecular weight of 852.01 g/mol, XLogP of 9.56, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-1-(4-phenylphenyl)imidazo[4,5-b]pyridine;4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]benzenesulfonamide is sourced from PubChem (CID 159815532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).