2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol

C11H14N2OS2 — CID 122542010

IUPAC2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol
SMILESCSSc1cc2c(cc1CCO)ncn2C
InChIInChI=1S/C11H14N2OS2/c1-13-7-12-9-5-8(3-4-14)11(16-15-2)6-10(9)13/h5-7,14H,3-4H2,1-2H3
InChIKeyPTTMSSIIRFSPCY-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.48
Rot. Bonds4

About 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol

2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol (PubChem CID 122542010) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol
PubChem CID122542010
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol
SMILESCSSc1cc2c(cc1CCO)ncn2C
InChIInChI=1S/C11H14N2OS2/c1-13-7-12-9-5-8(3-4-14)11(16-15-2)6-10(9)13/h5-7,14H,3-4H2,1-2H3
InChIKeyPTTMSSIIRFSPCY-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol?
The IUPAC name of 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol (CID 122542010) is 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol?
The canonical SMILES for 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol is CSSc1cc2c(cc1CCO)ncn2C.
What is the InChIKey of 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol?
The InChIKey is PTTMSSIIRFSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-13-7-12-9-5-8(3-4-14)11(16-15-2)6-10(9)13/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol?
2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol has a molecular weight of 254.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-6-(methyldisulfanyl)benzimidazol-5-yl]ethanol is sourced from PubChem (CID 122542010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).