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

C10H10N2O2S — CID 796323

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCn1c(SCC(=O)O)nc2ccccc21
InChIInChI=1S/C10H10N2O2S/c1-12-8-5-3-2-4-7(8)11-10(12)15-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyMCMIGLPXWPOCTD-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.75
Rot. Bonds3

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

2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 796323) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid
PubChem CID796323
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid
SMILESCn1c(SCC(=O)O)nc2ccccc21
InChIInChI=1S/C10H10N2O2S/c1-12-8-5-3-2-4-7(8)11-10(12)15-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyMCMIGLPXWPOCTD-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid (CID 796323) is 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid is Cn1c(SCC(=O)O)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is MCMIGLPXWPOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-12-8-5-3-2-4-7(8)11-10(12)15-6-9(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid?
2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 222.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 796323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).