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

C16H11BrN2O — CID 118156450

IUPAC7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
SMILESO=C1CC(c2ccccc2)n2c1nc1ccc(Br)cc12
InChIInChI=1S/C16H11BrN2O/c17-11-6-7-12-14(8-11)19-13(9-15(20)16(19)18-12)10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKeyHKVIOYNQCMZZGF-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.97
Rot. Bonds1

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

7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one (PubChem CID 118156450) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one.

Molecular Properties

Compound Name7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
PubChem CID118156450
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one
SMILESO=C1CC(c2ccccc2)n2c1nc1ccc(Br)cc12
InChIInChI=1S/C16H11BrN2O/c17-11-6-7-12-14(8-11)19-13(9-15(20)16(19)18-12)10-4-2-1-3-5-10/h1-8,13H,9H2
InChIKeyHKVIOYNQCMZZGF-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
The IUPAC name of 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one (CID 118156450) is 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one.
What is the SMILES notation for 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
The canonical SMILES for 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one is O=C1CC(c2ccccc2)n2c1nc1ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
The InChIKey is HKVIOYNQCMZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-11-6-7-12-14(8-11)19-13(9-15(20)16(19)18-12)10-4-2-1-3-5-10/h1-8,13H,9H2.
What are the key properties of 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one?
7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one has a molecular weight of 327.18 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-phenyl-1,2-dihydropyrrolo[1,2-a]benzimidazol-3-one is sourced from PubChem (CID 118156450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).