5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one

C19H21N3O3S — CID 1253526

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C19H21N3O3S/c1-3-20-17-10-9-15(13-18(17)21(4-2)19(20)23)26(24,25)22-12-11-14-7-5-6-8-16(14)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyFZBLPYSJDSHKAF-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.59
Rot. Bonds4

About 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one

5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one (PubChem CID 1253526) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one
PubChem CID1253526
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
InChIInChI=1S/C19H21N3O3S/c1-3-20-17-10-9-15(13-18(17)21(4-2)19(20)23)26(24,25)22-12-11-14-7-5-6-8-16(14)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyFZBLPYSJDSHKAF-UHFFFAOYSA-N
XLogP2.59
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
N-(3,4-dimethylphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2990488
N-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 53092093
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
1-acetyl-6-(2,3-dihydro-1H-indol-1-ylsulfonyl)indoline
CID 2940687
N-(2,4-dimethylphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3152215
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
5-(3,4-dihydro-1(2H)-quinolinylsulfonyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1247966
2-methyl-6-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 9909726
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372092
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one (CID 1253526) is 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one is CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one?
The InChIKey is FZBLPYSJDSHKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-20-17-10-9-15(13-18(17)21(4-2)19(20)23)26(24,25)22-12-11-14-7-5-6-8-16(14)22/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one?
5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one has a molecular weight of 371.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethylbenzimidazol-2-one is sourced from PubChem (CID 1253526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).