4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one

C7H4BrFN2O — CID 70672059

IUPAC4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(F)cc(Br)c2[nH]1
InChIInChI=1S/C7H4BrFN2O/c8-4-1-3(9)2-5-6(4)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKeyJXPSJWNAGSKHHA-UHFFFAOYSA-N
MW231.02 g/mol
LogP1.76
Rot. Bonds

About 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one

4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one (PubChem CID 70672059) has the molecular formula C7H4BrFN2O and a molecular weight of 231.02 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one
PubChem CID70672059
Molecular FormulaC7H4BrFN2O
Molecular Weight231.02 g/mol
Exact Mass229.95
IUPAC Name4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(F)cc(Br)c2[nH]1
InChIInChI=1S/C7H4BrFN2O/c8-4-1-3(9)2-5-6(4)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKeyJXPSJWNAGSKHHA-UHFFFAOYSA-N
XLogP1.76
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.02
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one (CID 70672059) is 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(F)cc(Br)c2[nH]1.
What is the InChIKey of 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JXPSJWNAGSKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2O/c8-4-1-3(9)2-5-6(4)11-7(12)10-5/h1-2H,(H2,10,11,12).
What are the key properties of 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one?
4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 231.02 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 70672059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).