N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide

C26H26N6O4S — CID 177185166

IUPACN-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3ccc(NC(C)=O)cc3C)n(-c3ccc4c(c3)n(C)c(=O)n4C)c2c1
InChIInChI=1S/C26H26N6O4S/c1-15-12-17(28-16(2)33)6-9-20(15)25-29-21-10-8-19(37(35,36)27-3)14-23(21)32(25)18-7-11-22-24(13-18)31(5)26(34)30(22)4/h6-14,27H,1-5H3,(H,28,33)
InChIKeyOJHLCWPEUPXSRK-UHFFFAOYSA-N
MW518.60 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide

N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide (PubChem CID 177185166) has the molecular formula C26H26N6O4S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide
PubChem CID177185166
Molecular FormulaC26H26N6O4S
Molecular Weight518.60 g/mol
Exact Mass518.17
IUPAC NameN-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3ccc(NC(C)=O)cc3C)n(-c3ccc4c(c3)n(C)c(=O)n4C)c2c1
InChIInChI=1S/C26H26N6O4S/c1-15-12-17(28-16(2)33)6-9-20(15)25-29-21-10-8-19(37(35,36)27-3)14-23(21)32(25)18-7-11-22-24(13-18)31(5)26(34)30(22)4/h6-14,27H,1-5H3,(H,28,33)
InChIKeyOJHLCWPEUPXSRK-UHFFFAOYSA-N
XLogP3.06
TPSA120.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide
CID 177185201
2-(5-chloro-1H-indol-3-yl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methylbenzimidazole-5-sulfonamide
CID 177185248
N-[3-[2-(6-methyl-1H-indol-3-yl)-6-(methylsulfamoyl)benzimidazol-1-yl]phenyl]acetamide
CID 177185192
2-[1-[(2,4-difluorophenyl)methyl]pyrrol-2-yl]-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methylbenzimidazole-5-sulfonamide
CID 177185298
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(5-fluoro-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-sulfonamide
CID 177185335
1,3-dimethyl-5-[2-(6-methyl-1H-indol-3-yl)-6-morpholin-4-ylsulfonylbenzimidazol-1-yl]benzimidazol-2-one
CID 177185245
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-[4-(ethylsulfonylamino)-3-methylphenyl]urea
CID 166209374
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 50784533
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 19259576
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 49168885
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide (CID 177185166) is N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide is CNS(=O)(=O)c1ccc2nc(-c3ccc(NC(C)=O)cc3C)n(-c3ccc4c(c3)n(C)c(=O)n4C)c2c1.
What is the InChIKey of N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide?
The InChIKey is OJHLCWPEUPXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4S/c1-15-12-17(28-16(2)33)6-9-20(15)25-29-21-10-8-19(37(35,36)27-3)14-23(21)32(25)18-7-11-22-24(13-18)31(5)26(34)30(22)4/h6-14,27H,1-5H3,(H,28,33).
What are the key properties of N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide?
N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide has a molecular weight of 518.60 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide is sourced from PubChem (CID 177185166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).