5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one

C8H7FN2O2 — CID 71449459

IUPAC5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one
SMILESCc1cc2[nH]c(=O)n(O)c2cc1F
InChIInChI=1S/C8H7FN2O2/c1-4-2-6-7(3-5(4)9)11(13)8(12)10-6/h2-3,13H,1H3,(H,10,12)
InChIKeyAYIUZYZOWYNFAQ-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.01
Rot. Bonds

About 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one

5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one (PubChem CID 71449459) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one
PubChem CID71449459
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one
SMILESCc1cc2[nH]c(=O)n(O)c2cc1F
InChIInChI=1S/C8H7FN2O2/c1-4-2-6-7(3-5(4)9)11(13)8(12)10-6/h2-3,13H,1H3,(H,10,12)
InChIKeyAYIUZYZOWYNFAQ-UHFFFAOYSA-N
XLogP1.01
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one (CID 71449459) is 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one is Cc1cc2[nH]c(=O)n(O)c2cc1F.
What is the InChIKey of 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one?
The InChIKey is AYIUZYZOWYNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-4-2-6-7(3-5(4)9)11(13)8(12)10-6/h2-3,13H,1H3,(H,10,12).
What are the key properties of 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one?
5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one has a molecular weight of 182.15 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 71449459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).