5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one

C7H4F2N2O2 — CID 71460306

IUPAC5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(F)cc(F)cc2n1O
InChIInChI=1S/C7H4F2N2O2/c8-3-1-4(9)6-5(2-3)11(13)7(12)10-6/h1-2,13H,(H,10,12)
InChIKeySIXWFQDVMSRKGD-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.85
Rot. Bonds

About 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one

5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one (PubChem CID 71460306) has the molecular formula C7H4F2N2O2 and a molecular weight of 186.12 g/mol. Its IUPAC name is 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one
PubChem CID71460306
Molecular FormulaC7H4F2N2O2
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2c(F)cc(F)cc2n1O
InChIInChI=1S/C7H4F2N2O2/c8-3-1-4(9)6-5(2-3)11(13)7(12)10-6/h1-2,13H,(H,10,12)
InChIKeySIXWFQDVMSRKGD-UHFFFAOYSA-N
XLogP0.85
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.85
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 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one (CID 71460306) is 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2c(F)cc(F)cc2n1O.
What is the InChIKey of 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one?
The InChIKey is SIXWFQDVMSRKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O2/c8-3-1-4(9)6-5(2-3)11(13)7(12)10-6/h1-2,13H,(H,10,12).
What are the key properties of 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one?
5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one has a molecular weight of 186.12 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 71460306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).