6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one

C11H6BrFN2O — CID 16639565

IUPAC6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one
SMILESO=c1[nH]c2cc3cc(F)c(Br)cc3cc2[nH]1
InChIInChI=1S/C11H6BrFN2O/c12-7-1-5-3-9-10(15-11(16)14-9)4-6(5)2-8(7)13/h1-4H,(H2,14,15,16)
InChIKeyAMQLSZVJKVAAOA-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.91
Rot. Bonds

About 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one

6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one (PubChem CID 16639565) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one
PubChem CID16639565
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one
SMILESO=c1[nH]c2cc3cc(F)c(Br)cc3cc2[nH]1
InChIInChI=1S/C11H6BrFN2O/c12-7-1-5-3-9-10(15-11(16)14-9)4-6(5)2-8(7)13/h1-4H,(H2,14,15,16)
InChIKeyAMQLSZVJKVAAOA-UHFFFAOYSA-N
XLogP2.91
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one?
The IUPAC name of 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one (CID 16639565) is 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one.
What is the SMILES notation for 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one?
The canonical SMILES for 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one is O=c1[nH]c2cc3cc(F)c(Br)cc3cc2[nH]1.
What is the InChIKey of 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one?
The InChIKey is AMQLSZVJKVAAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/c12-7-1-5-3-9-10(15-11(16)14-9)4-6(5)2-8(7)13/h1-4H,(H2,14,15,16).
What are the key properties of 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one?
6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one has a molecular weight of 281.08 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-1,3-dihydrobenzo[f]benzimidazol-2-one is sourced from PubChem (CID 16639565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).