7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one

C16H10BrFN2O — CID 118141689

IUPAC7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
SMILESO=C1CC(c2ccccc2)n2c1nc1cc(F)c(Br)cc12
InChIInChI=1S/C16H10BrFN2O/c17-10-6-14-12(7-11(10)18)19-16-15(21)8-13(20(14)16)9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyDDYORSQVRLWHDS-UHFFFAOYSA-N
MW345.17 g/mol
LogP4.11
Rot. Bonds1

About 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one

7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one (PubChem CID 118141689) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
PubChem CID118141689
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
SMILESO=C1CC(c2ccccc2)n2c1nc1cc(F)c(Br)cc12
InChIInChI=1S/C16H10BrFN2O/c17-10-6-14-12(7-11(10)18)19-16-15(21)8-13(20(14)16)9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyDDYORSQVRLWHDS-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
The IUPAC name of 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one (CID 118141689) is 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one.
What is the SMILES notation for 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
The canonical SMILES for 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one is O=C1CC(c2ccccc2)n2c1nc1cc(F)c(Br)cc12.
What is the InChIKey of 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
The InChIKey is DDYORSQVRLWHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-10-6-14-12(7-11(10)18)19-16-15(21)8-13(20(14)16)9-4-2-1-3-5-9/h1-7,13H,8H2.
What are the key properties of 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one has a molecular weight of 345.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one is sourced from PubChem (CID 118141689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).