6-fluoro-1,6-dihydrobenzimidazol-2-one

C7H5FN2O — CID 71303756

IUPAC6-fluoro-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(F)C=C2N1
InChIInChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11)
InChIKeyWKITWIRHDYNPDI-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.94
Rot. Bonds

About 6-fluoro-1,6-dihydrobenzimidazol-2-one

6-fluoro-1,6-dihydrobenzimidazol-2-one (PubChem CID 71303756) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 6-fluoro-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-1,6-dihydrobenzimidazol-2-one
PubChem CID71303756
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name6-fluoro-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(F)C=C2N1
InChIInChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11)
InChIKeyWKITWIRHDYNPDI-UHFFFAOYSA-N
XLogP0.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-fluoro-1,6-dihydrobenzimidazol-2-one (CID 71303756) is 6-fluoro-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-fluoro-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-fluoro-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(F)C=C2N1.
What is the InChIKey of 6-fluoro-1,6-dihydrobenzimidazol-2-one?
The InChIKey is WKITWIRHDYNPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-4H,(H,10,11).
What are the key properties of 6-fluoro-1,6-dihydrobenzimidazol-2-one?
6-fluoro-1,6-dihydrobenzimidazol-2-one has a molecular weight of 152.13 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71303756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).