2-(2-chlorobenzimidazol-1-yl)ethanol

C9H9ClN2O — CID 1089243

IUPAC2-(2-chlorobenzimidazol-1-yl)ethanol
SMILESOCCn1c(Cl)nc2ccccc21
InChIInChI=1S/C9H9ClN2O/c10-9-11-7-3-1-2-4-8(7)12(9)5-6-13/h1-4,13H,5-6H2
InChIKeyXHXRGDWCSOGFTK-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.68
Rot. Bonds2

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

2-(2-chlorobenzimidazol-1-yl)ethanol (PubChem CID 1089243) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(2-chlorobenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-chlorobenzimidazol-1-yl)ethanol
PubChem CID1089243
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(2-chlorobenzimidazol-1-yl)ethanol
SMILESOCCn1c(Cl)nc2ccccc21
InChIInChI=1S/C9H9ClN2O/c10-9-11-7-3-1-2-4-8(7)12(9)5-6-13/h1-4,13H,5-6H2
InChIKeyXHXRGDWCSOGFTK-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorobenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-chlorobenzimidazol-1-yl)ethanol (CID 1089243) is 2-(2-chlorobenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-chlorobenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-chlorobenzimidazol-1-yl)ethanol is OCCn1c(Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorobenzimidazol-1-yl)ethanol?
The InChIKey is XHXRGDWCSOGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-9-11-7-3-1-2-4-8(7)12(9)5-6-13/h1-4,13H,5-6H2.
What are the key properties of 2-(2-chlorobenzimidazol-1-yl)ethanol?
2-(2-chlorobenzimidazol-1-yl)ethanol has a molecular weight of 196.64 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorobenzimidazol-1-yl)ethanol is sourced from PubChem (CID 1089243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).