2-(2-methylsulfanylbenzimidazol-1-yl)ethanol

C10H12N2OS — CID 720885

IUPAC2-(2-methylsulfanylbenzimidazol-1-yl)ethanol
SMILESCSc1nc2ccccc2n1CCO
InChIInChI=1S/C10H12N2OS/c1-14-10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3
InChIKeyPLWXCEVAMRVDIS-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.75
Rot. Bonds3

About 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol

2-(2-methylsulfanylbenzimidazol-1-yl)ethanol (PubChem CID 720885) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylsulfanylbenzimidazol-1-yl)ethanol
PubChem CID720885
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-(2-methylsulfanylbenzimidazol-1-yl)ethanol
SMILESCSc1nc2ccccc2n1CCO
InChIInChI=1S/C10H12N2OS/c1-14-10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3
InChIKeyPLWXCEVAMRVDIS-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
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-(2-methylsulfanylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol (CID 720885) is 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol is CSc1nc2ccccc2n1CCO.
What is the InChIKey of 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol?
The InChIKey is PLWXCEVAMRVDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-14-10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-(2-methylsulfanylbenzimidazol-1-yl)ethanol?
2-(2-methylsulfanylbenzimidazol-1-yl)ethanol has a molecular weight of 208.29 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-(2-methylsulfanylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 720885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).