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CS-W001157 4
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7-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one

  • CAS No. 913297-44-6

  • Cat. No. CS-0029599
  • Purity≥97%
  • MDL No.MFCD27932420

*For research and further manufacturing use only, not for direct human use.

7-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one|CS-0029599

Structure of 913297-44-6

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General Information

  • CAS No. 913297-44-6
  • Cat. No. CS-0029599
  • Purity ≥97%
  • MDL No. MFCD27932420
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrN₂O
  • Molecular Weight 227.06
  • Synonym(s) 7-bromo-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
  • SMILES O=C1NC2=CC=CC(Br)=C2N1C

Description

7-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one features a brominated benzene ring fused to a methylated imidazolone core, delivering enhanced reactivity in cross-coupling and bioconjugation applications. The electron-deficient carbonyl and bromine substituents enable selective functionalization, while the bench-stable structure supports reliable handling under standard conditions.

Application

7-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazolone scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the methylated imidazolone core offers enhanced stability and solubility. The compound functions effectively in late-stage functionalization and exhibits good compatibility with diverse reaction conditions, supporting rapid diversification for drug discovery applications.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   37.79
  • LogP   1.6291
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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