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

C49H37N7O6S2 — CID 159647025

IUPAC2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2nc3cnccc3n2-c2ccc(Oc3ccccc3)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H19N3O3S.C24H18N4O3S/c1-32(29,30)22-13-7-18(8-14-22)25-27-23-17-26-16-15-24(23)28(25)19-9-11-21(12-10-19)31-20-5-3-2-4-6-20;25-32(29,30)21-12-6-17(7-13-21)24-27-22-14-15-26-16-23(22)28(24)18-8-10-20(11-9-18)31-19-4-2-1-3-5-19/h2-17H,1H3;1-16H,(H2,25,29,30)
InChIKeyMRBUPYGQPXIWOI-UHFFFAOYSA-N
MW884.01 g/mol
LogP9.81
Rot. Bonds10

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

2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide (PubChem CID 159647025) has the molecular formula C49H37N7O6S2 and a molecular weight of 884.01 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
PubChem CID159647025
Molecular FormulaC49H37N7O6S2
Molecular Weight884.01 g/mol
Exact Mass883.22
IUPAC Name2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2nc3cnccc3n2-c2ccc(Oc3ccccc3)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C25H19N3O3S.C24H18N4O3S/c1-32(29,30)22-13-7-18(8-14-22)25-27-23-17-26-16-15-24(23)28(25)19-9-11-21(12-10-19)31-20-5-3-2-4-6-20;25-32(29,30)21-12-6-17(7-13-21)24-27-22-14-15-26-16-23(22)28(24)18-8-10-20(11-9-18)31-19-4-2-1-3-5-19/h2-17H,1H3;1-16H,(H2,25,29,30)
InChIKeyMRBUPYGQPXIWOI-UHFFFAOYSA-N
XLogP9.81
TPSA174.18 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.01
LogP ≤ 59.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

4-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide
CID 68643503
4-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]-N-phenylaniline
CID 58317784
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
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
2-methyl-1-[4-(3-propan-2-ylphenoxy)phenyl]imidazo[4,5-c]pyridine
CID 21307192
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
3-(4-methoxyphenyl)-2-methylimidazo[4,5-c]pyridine
CID 24856151
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
3-(4-methylsulfonylphenyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 58329141
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
The IUPAC name of 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) is 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2nc3cnccc3n2-c2ccc(Oc3ccccc3)cc2)cc1.NS(=O)(=O)c1ccc(-c2nc3ccncc3n2-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
The InChIKey is MRBUPYGQPXIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S.C24H18N4O3S/c1-32(29,30)22-13-7-18(8-14-22)25-27-23-17-26-16-15-24(23)28(25)19-9-11-21(12-10-19)31-20-5-3-2-4-6-20;25-32(29,30)21-12-6-17(7-13-21)24-27-22-14-15-26-16-23(22)28(24)18-8-10-20(11-9-18)31-19-4-2-1-3-5-19/h2-17H,1H3;1-16H,(H2,25,29,30).
What are the key properties of 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide?
2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide has a molecular weight of 884.01 g/mol, XLogP of 9.81, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-1-(4-phenoxyphenyl)imidazo[4,5-c]pyridine;4-[3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-yl]benzenesulfonamide is sourced from PubChem (CID 159647025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).