2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid

C11H12N2O2S — CID 720898

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCCn1c(SCC(=O)O)nc2ccccc21
InChIInChI=1S/C11H12N2O2S/c1-2-13-9-6-4-3-5-8(9)12-11(13)16-7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyPFHMOWCRFNUPGT-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.23
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid

2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 720898) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID720898
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCCn1c(SCC(=O)O)nc2ccccc21
InChIInChI=1S/C11H12N2O2S/c1-2-13-9-6-4-3-5-8(9)12-11(13)16-7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyPFHMOWCRFNUPGT-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
2-[1-(2-methylsulfanylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 113466694
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 112759939
2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772432
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 751743
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid (CID 720898) is 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid is CCn1c(SCC(=O)O)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is PFHMOWCRFNUPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-13-9-6-4-3-5-8(9)12-11(13)16-7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid?
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 236.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 720898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).