7-fluoro-3-hydroxy-1H-benzimidazol-2-one

C7H5FN2O2 — CID 71458455

IUPAC7-fluoro-3-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(F)cccc2n1O
InChIInChI=1S/C7H5FN2O2/c8-4-2-1-3-5-6(4)9-7(11)10(5)12/h1-3,12H,(H,9,11)
InChIKeyALFVBOOQDNZAAL-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.71
Rot. Bonds

About 7-fluoro-3-hydroxy-1H-benzimidazol-2-one

7-fluoro-3-hydroxy-1H-benzimidazol-2-one (PubChem CID 71458455) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is 7-fluoro-3-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-fluoro-3-hydroxy-1H-benzimidazol-2-one
PubChem CID71458455
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name7-fluoro-3-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(F)cccc2n1O
InChIInChI=1S/C7H5FN2O2/c8-4-2-1-3-5-6(4)9-7(11)10(5)12/h1-3,12H,(H,9,11)
InChIKeyALFVBOOQDNZAAL-UHFFFAOYSA-N
XLogP0.71
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.71
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 7-fluoro-3-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 7-fluoro-3-hydroxy-1H-benzimidazol-2-one (CID 71458455) is 7-fluoro-3-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 7-fluoro-3-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 7-fluoro-3-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2c(F)cccc2n1O.
What is the InChIKey of 7-fluoro-3-hydroxy-1H-benzimidazol-2-one?
The InChIKey is ALFVBOOQDNZAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2/c8-4-2-1-3-5-6(4)9-7(11)10(5)12/h1-3,12H,(H,9,11).
What are the key properties of 7-fluoro-3-hydroxy-1H-benzimidazol-2-one?
7-fluoro-3-hydroxy-1H-benzimidazol-2-one has a molecular weight of 168.13 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 71458455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).