3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one

C16H13N3O3S — CID 11667021

IUPAC3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)C(c1nc3ccccc3[nH]1)C(=O)N2
InChIInChI=1S/C16H13N3O3S/c1-23(21,22)9-6-7-11-10(8-9)14(16(20)19-11)15-17-12-4-2-3-5-13(12)18-15/h2-8,14H,1H3,(H,17,18)(H,19,20)
InChIKeyOEECGCFTGLJREW-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.05
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one

3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one (PubChem CID 11667021) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one
PubChem CID11667021
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one
SMILESCS(=O)(=O)c1ccc2c(c1)C(c1nc3ccccc3[nH]1)C(=O)N2
InChIInChI=1S/C16H13N3O3S/c1-23(21,22)9-6-7-11-10(8-9)14(16(20)19-11)15-17-12-4-2-3-5-13(12)18-15/h2-8,14H,1H3,(H,17,18)(H,19,20)
InChIKeyOEECGCFTGLJREW-UHFFFAOYSA-N
XLogP2.05
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1H-quinoxalin-2-one
CID 2312767
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CID 66394776
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 51270047
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66032188
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809
2-(2-methylpyrrolidin-3-yl)-6-methylsulfonyl-1H-benzimidazole
CID 79364223
2-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505868
dimethyl 4-(1H-benzimidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 685415
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)thiolane 1,1-dioxide
CID 64905799

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one (CID 11667021) is 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one is CS(=O)(=O)c1ccc2c(c1)C(c1nc3ccccc3[nH]1)C(=O)N2.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one?
The InChIKey is OEECGCFTGLJREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-23(21,22)9-6-7-11-10(8-9)14(16(20)19-11)15-17-12-4-2-3-5-13(12)18-15/h2-8,14H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one?
3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one has a molecular weight of 327.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-methylsulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 11667021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).