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

C7H5FN2O2 — CID 71454821

IUPAC6-fluoro-3-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1O
InChIInChI=1S/C7H5FN2O2/c8-4-1-2-6-5(3-4)9-7(11)10(6)12/h1-3,12H,(H,9,11)
InChIKeyRKNTXYLPUYAYST-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.71
Rot. Bonds

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

6-fluoro-3-hydroxy-1H-benzimidazol-2-one (PubChem CID 71454821) has the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-1H-benzimidazol-2-one
PubChem CID71454821
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name6-fluoro-3-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(F)ccc2n1O
InChIInChI=1S/C7H5FN2O2/c8-4-1-2-6-5(3-4)9-7(11)10(6)12/h1-3,12H,(H,9,11)
InChIKeyRKNTXYLPUYAYST-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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Related Compounds

2-Hydroxy benzimidazole
CID 11985
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
5-Amino-2-hydroxybenzimidazole
CID 66765
2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-
CID 3725611
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278
5-Fluoro-1H-benzo[d]imidazole-2(3H)-thione
CID 3434885
1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590540
1,3-Dihydro-1-hydroxy-2H-benzimidazol-2-one
CID 12205754
1-amino-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 819556
5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one
CID 71449459
7-fluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71458455
6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one
CID 71460304

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-hydroxy-1H-benzimidazol-2-one (CID 71454821) is 6-fluoro-3-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2cc(F)ccc2n1O.
What is the InChIKey of 6-fluoro-3-hydroxy-1H-benzimidazol-2-one?
The InChIKey is RKNTXYLPUYAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2/c8-4-1-2-6-5(3-4)9-7(11)10(6)12/h1-3,12H,(H,9,11).
What are the key properties of 6-fluoro-3-hydroxy-1H-benzimidazol-2-one?
6-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 6-fluoro-3-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 71454821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).