5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one

C10H12N2O3 — CID 117207732

IUPAC5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one
SMILESCOCCn1c(=O)[nH]c2ccc(O)cc21
InChIInChI=1S/C10H12N2O3/c1-15-5-4-12-9-6-7(13)2-3-8(9)11-10(12)14/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyYOUISDBIAQILMR-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.68
Rot. Bonds3

About 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one

5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one (PubChem CID 117207732) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one
PubChem CID117207732
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one
SMILESCOCCn1c(=O)[nH]c2ccc(O)cc21
InChIInChI=1S/C10H12N2O3/c1-15-5-4-12-9-6-7(13)2-3-8(9)11-10(12)14/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyYOUISDBIAQILMR-UHFFFAOYSA-N
XLogP0.68
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one (CID 117207732) is 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one is COCCn1c(=O)[nH]c2ccc(O)cc21.
What is the InChIKey of 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one?
The InChIKey is YOUISDBIAQILMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-5-4-12-9-6-7(13)2-3-8(9)11-10(12)14/h2-3,6,13H,4-5H2,1H3,(H,11,14).
What are the key properties of 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one?
5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(2-methoxyethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).