3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide

C24H21N7O3S — CID 177185201

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3c[nH]c4ccncc34)n(-c3ccc4c(c3)n(C)c(=O)n4C)c2c1
InChIInChI=1S/C24H21N7O3S/c1-25-35(33,34)15-5-6-19-21(11-15)31(14-4-7-20-22(10-14)30(3)24(32)29(20)2)23(28-19)17-13-27-18-8-9-26-12-16(17)18/h4-13,25,27H,1-3H3
InChIKeyYNABUQZHYIVUBI-UHFFFAOYSA-N
MW487.55 g/mol
LogP2.67
Rot. Bonds4

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide (PubChem CID 177185201) has the molecular formula C24H21N7O3S and a molecular weight of 487.55 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide
PubChem CID177185201
Molecular FormulaC24H21N7O3S
Molecular Weight487.55 g/mol
Exact Mass487.14
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3c[nH]c4ccncc34)n(-c3ccc4c(c3)n(C)c(=O)n4C)c2c1
InChIInChI=1S/C24H21N7O3S/c1-25-35(33,34)15-5-6-19-21(11-15)31(14-4-7-20-22(10-14)30(3)24(32)29(20)2)23(28-19)17-13-27-18-8-9-26-12-16(17)18/h4-13,25,27H,1-3H3
InChIKeyYNABUQZHYIVUBI-UHFFFAOYSA-N
XLogP2.67
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methylbenzimidazole-5-sulfonamide
CID 177185248
N-[4-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-(methylsulfamoyl)benzimidazol-2-yl]-3-methylphenyl]acetamide
CID 177185166
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
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-(6-methyl-1H-indol-3-yl)-6-(1-methylpyrazol-4-yl)benzimidazole-5-carbaldehyde
CID 177184507
5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177185213
2-(1H-indol-3-yl)-1-methylimidazo[4,5-c]pyridine
CID 3377519
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-[3-fluoro-4-(methylcarbamoyl)phenyl]-N-methyl-2-(3-methylimidazol-4-yl)benzimidazole-5-carboxamide
CID 177184650
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
5-[5-ethynyl-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]-1,3-dimethylbenzimidazol-2-one
CID 177185008

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide (CID 177185201) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide is CNS(=O)(=O)c1ccc2nc(-c3c[nH]c4ccncc34)n(-c3ccc4c(c3)n(C)c(=O)n4C)c2c1.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide?
The InChIKey is YNABUQZHYIVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3S/c1-25-35(33,34)15-5-6-19-21(11-15)31(14-4-7-20-22(10-14)30(3)24(32)29(20)2)23(28-19)17-13-27-18-8-9-26-12-16(17)18/h4-13,25,27H,1-3H3.
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide has a molecular weight of 487.55 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 177185201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).