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

C8H7FN2O2 — CID 71460304

IUPAC6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one
SMILESCc1c(F)ccc2c1[nH]c(=O)n2O
InChIInChI=1S/C8H7FN2O2/c1-4-5(9)2-3-6-7(4)10-8(12)11(6)13/h2-3,13H,1H3,(H,10,12)
InChIKeyWRQLISMCPOTYSO-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.01
Rot. Bonds

About 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one

6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one (PubChem CID 71460304) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one
PubChem CID71460304
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one
SMILESCc1c(F)ccc2c1[nH]c(=O)n2O
InChIInChI=1S/C8H7FN2O2/c1-4-5(9)2-3-6-7(4)10-8(12)11(6)13/h2-3,13H,1H3,(H,10,12)
InChIKeyWRQLISMCPOTYSO-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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Related Compounds

5-Methylbenzimidazolone
CID 223134
3-hydroxy-7-methyl-1H-benzimidazol-2-one
CID 12501973
4-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 12501974
3-hydroxy-6,7-dimethyl-1H-benzimidazol-2-one
CID 71449458
5-fluoro-3-hydroxy-6-methyl-1H-benzimidazol-2-one
CID 71449459
6-fluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71454821
7-fluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71458455
5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71460306
5-fluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71462001
1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carbonitrile
CID 71446052
3-hydroxy-5-methyl-1H-benzimidazol-2-one
CID 71449460
4,5-difluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71449461

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one (CID 71460304) is 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one is Cc1c(F)ccc2c1[nH]c(=O)n2O.
What is the InChIKey of 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one?
The InChIKey is WRQLISMCPOTYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-4-5(9)2-3-6-7(4)10-8(12)11(6)13/h2-3,13H,1H3,(H,10,12).
What are the key properties of 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one?
6-fluoro-3-hydroxy-7-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 6-fluoro-3-hydroxy-7-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 71460304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).