6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one

C9H9ClN2O2 — CID 21424819

IUPAC6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1CCO
InChIInChI=1S/C9H9ClN2O2/c10-6-1-2-8-7(5-6)11-9(14)12(8)3-4-13/h1-2,5,13H,3-4H2,(H,11,14)
InChIKeyCVYVCFWRHRGXMV-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.98
Rot. Bonds2

About 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one

6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one (PubChem CID 21424819) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
PubChem CID21424819
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2n1CCO
InChIInChI=1S/C9H9ClN2O2/c10-6-1-2-8-7(5-6)11-9(14)12(8)3-4-13/h1-2,5,13H,3-4H2,(H,11,14)
InChIKeyCVYVCFWRHRGXMV-UHFFFAOYSA-N
XLogP0.98
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one (CID 21424819) is 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(Cl)ccc2n1CCO.
What is the InChIKey of 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one?
The InChIKey is CVYVCFWRHRGXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-6-1-2-8-7(5-6)11-9(14)12(8)3-4-13/h1-2,5,13H,3-4H2,(H,11,14).
What are the key properties of 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one?
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one has a molecular weight of 212.64 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 21424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).