3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one

C21H18N2O3S — CID 15517403

IUPAC3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N2O3S/c24-21-22-19-12-6-7-13-20(19)23(21)14-16-8-4-5-9-17(16)15-27(25,26)18-10-2-1-3-11-18/h1-13H,14-15H2,(H,22,24)
InChIKeySXQXHCUGXAMADZ-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.35
Rot. Bonds5

About 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one

3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one (PubChem CID 15517403) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one
PubChem CID15517403
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccccc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N2O3S/c24-21-22-19-12-6-7-13-20(19)23(21)14-16-8-4-5-9-17(16)15-27(25,26)18-10-2-1-3-11-18/h1-13H,14-15H2,(H,22,24)
InChIKeySXQXHCUGXAMADZ-UHFFFAOYSA-N
XLogP3.35
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one (CID 15517403) is 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1Cc1ccccc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one?
The InChIKey is SXQXHCUGXAMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-21-22-19-12-6-7-13-20(19)23(21)14-16-8-4-5-9-17(16)15-27(25,26)18-10-2-1-3-11-18/h1-13H,14-15H2,(H,22,24).
What are the key properties of 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one?
3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one has a molecular weight of 378.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(benzenesulfonylmethyl)phenyl]methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 15517403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).