2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol

C11H13FN2OS — CID 82332433

IUPAC2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(CCS)nc2cc(F)ccc21
InChIInChI=1S/C11H13FN2OS/c12-8-1-2-10-9(7-8)13-11(3-6-16)14(10)4-5-15/h1-2,7,15-16H,3-6H2
InChIKeyPNKCXYLMKFQGHJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.64
Rot. Bonds4

About 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol

2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol (PubChem CID 82332433) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
PubChem CID82332433
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(CCS)nc2cc(F)ccc21
InChIInChI=1S/C11H13FN2OS/c12-8-1-2-10-9(7-8)13-11(3-6-16)14(10)4-5-15/h1-2,7,15-16H,3-6H2
InChIKeyPNKCXYLMKFQGHJ-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol (CID 82332433) is 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol is OCCn1c(CCS)nc2cc(F)ccc21.
What is the InChIKey of 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol?
The InChIKey is PNKCXYLMKFQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-8-1-2-10-9(7-8)13-11(3-6-16)14(10)4-5-15/h1-2,7,15-16H,3-6H2.
What are the key properties of 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol?
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol has a molecular weight of 240.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82332433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).