4,6-difluoro-1-hydroxybenzimidazole

C7H4F2N2O — CID 10607229

IUPAC4,6-difluoro-1-hydroxybenzimidazole
SMILESOn1cnc2c(F)cc(F)cc21
InChIInChI=1S/C7H4F2N2O/c8-4-1-5(9)7-6(2-4)11(12)3-10-7/h1-3,12H
InChIKeyAPJWDQADPBQOJF-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.55
Rot. Bonds

About 4,6-difluoro-1-hydroxybenzimidazole

4,6-difluoro-1-hydroxybenzimidazole (PubChem CID 10607229) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 4,6-difluoro-1-hydroxybenzimidazole.

Molecular Properties

Compound Name4,6-difluoro-1-hydroxybenzimidazole
PubChem CID10607229
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name4,6-difluoro-1-hydroxybenzimidazole
SMILESOn1cnc2c(F)cc(F)cc21
InChIInChI=1S/C7H4F2N2O/c8-4-1-5(9)7-6(2-4)11(12)3-10-7/h1-3,12H
InChIKeyAPJWDQADPBQOJF-UHFFFAOYSA-N
XLogP1.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 4,6-difluoro-1-hydroxybenzimidazole?
The IUPAC name of 4,6-difluoro-1-hydroxybenzimidazole (CID 10607229) is 4,6-difluoro-1-hydroxybenzimidazole.
What is the SMILES notation for 4,6-difluoro-1-hydroxybenzimidazole?
The canonical SMILES for 4,6-difluoro-1-hydroxybenzimidazole is On1cnc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-hydroxybenzimidazole?
The InChIKey is APJWDQADPBQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-4-1-5(9)7-6(2-4)11(12)3-10-7/h1-3,12H.
What are the key properties of 4,6-difluoro-1-hydroxybenzimidazole?
4,6-difluoro-1-hydroxybenzimidazole has a molecular weight of 170.12 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-hydroxybenzimidazole is sourced from PubChem (CID 10607229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).