2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid

C10H10N2O4S — CID 35753617

IUPAC2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid
SMILESCS(=O)(=O)n1c(CC(=O)O)nc2ccccc21
InChIInChI=1S/C10H10N2O4S/c1-17(15,16)12-8-5-3-2-4-7(8)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyFATYNAYDBNRGSI-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.47
Rot. Bonds3

About 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid

2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid (PubChem CID 35753617) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid
PubChem CID35753617
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid
SMILESCS(=O)(=O)n1c(CC(=O)O)nc2ccccc21
InChIInChI=1S/C10H10N2O4S/c1-17(15,16)12-8-5-3-2-4-7(8)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyFATYNAYDBNRGSI-UHFFFAOYSA-N
XLogP0.47
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
1-(1-methylsulfonylbenzimidazol-2-yl)ethanone
CID 19256624
N,N-bis(2-chloroethyl)-4-[(1-methylsulfonylbenzimidazol-2-yl)methyl]aniline
CID 1046648
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid (CID 35753617) is 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid is CS(=O)(=O)n1c(CC(=O)O)nc2ccccc21.
What is the InChIKey of 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid?
The InChIKey is FATYNAYDBNRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-17(15,16)12-8-5-3-2-4-7(8)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid?
2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid has a molecular weight of 254.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylbenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 35753617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).