1-(1-methylsulfonylbenzimidazol-2-yl)ethanone

C10H10N2O3S — CID 19256624

IUPAC1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccccc2n1S(C)(=O)=O
InChIInChI=1S/C10H10N2O3S/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)16(2,14)15/h3-6H,1-2H3
InChIKeyDPERSFMJINOTKM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.05
Rot. Bonds2

About 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone

1-(1-methylsulfonylbenzimidazol-2-yl)ethanone (PubChem CID 19256624) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
PubChem CID19256624
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccccc2n1S(C)(=O)=O
InChIInChI=1S/C10H10N2O3S/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)16(2,14)15/h3-6H,1-2H3
InChIKeyDPERSFMJINOTKM-UHFFFAOYSA-N
XLogP1.05
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone (CID 19256624) is 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone is CC(=O)c1nc2ccccc2n1S(C)(=O)=O.
What is the InChIKey of 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone?
The InChIKey is DPERSFMJINOTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)16(2,14)15/h3-6H,1-2H3.
What are the key properties of 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone?
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone has a molecular weight of 238.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylbenzimidazol-2-yl)ethanone is sourced from PubChem (CID 19256624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).