2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole

C17H15N3O2S — CID 136652316

IUPAC2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2[nH]cc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H15N3O2S/c1-2-23(21,22)11-7-8-14-12(9-11)13(10-18-14)17-19-15-5-3-4-6-16(15)20-17/h3-10,18H,2H2,1H3,(H,19,20)
InChIKeyJGAUOMKRYTZSMD-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole

2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole (PubChem CID 136652316) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole
PubChem CID136652316
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc2[nH]cc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C17H15N3O2S/c1-2-23(21,22)11-7-8-14-12(9-11)13(10-18-14)17-19-15-5-3-4-6-16(15)20-17/h3-10,18H,2H2,1H3,(H,19,20)
InChIKeyJGAUOMKRYTZSMD-UHFFFAOYSA-N
XLogP3.50
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
3-(1H-benzimidazol-2-yl)-N-ethyl-2-hydroxy-1H-indole-5-sulfonamide;3-(1H-benzimidazol-2-yl)-2-hydroxy-N-methyl-1H-indole-5-sulfonamide
CID 158658490
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
3-(5-chloro-1H-indol-3-yl)-1H-quinoxalin-2-one
CID 137302524
2-[3-(2-nitroethenyl)-1H-indol-5-yl]-1H-benzimidazole
CID 67595950
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-(5-bromo-2-ethoxy-3-iodophenyl)-1H-benzimidazole
CID 168555083

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole (CID 136652316) is 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole is CCS(=O)(=O)c1ccc2[nH]cc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole?
The InChIKey is JGAUOMKRYTZSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-23(21,22)11-7-8-14-12(9-11)13(10-18-14)17-19-15-5-3-4-6-16(15)20-17/h3-10,18H,2H2,1H3,(H,19,20).
What are the key properties of 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole?
2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole has a molecular weight of 325.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylsulfonyl-1H-indol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 136652316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).