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CS-W001157 4
Total: USD 88.00

1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one

  • CAS No. 3097-21-0

  • Cat. No. CS-0045349
  • Purity≥98%
  • MDL No.MFCD00224248

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

1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045349

Structure of 3097-21-0

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General Information

  • CAS No. 3097-21-0
  • Cat. No. CS-0045349
  • Purity ≥98%
  • MDL No. MFCD00224248
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O
  • Molecular Weight 162.19
  • Synonym(s) 1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
  • SMILES O=C1N(C)C2=CC=CC=C2N1C

Description

1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one features a stable, electron-deficient imidazolone core with methyl substituents at the 1- and 3-positions, enhancing solubility and metabolic stability. This scaffold serves as a robust heterocyclic building block for medicinal chemistry applications, particularly in kinase inhibitor design and bioactive compound synthesis under standard bench conditions.

Application

1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one serves as a stable, bench-accessible building block for heterocyclic synthesis. Its fused benzimidazolone core exhibits robust functional group tolerance and facilitates efficient derivatization via electrophilic substitution or transition-metal-catalyzed coupling. The molecule functions as a key scaffold in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds, offering predictable reactivity and straightforward purification.

Synthesis

  • Route1
    • 1,3-Dihydro-2H-benzo[d]imidazol-2-one Rabeprazole Impurity|CS-0166731
      615-16-7
    • null|null
      74-88-4
    • ~92%
    • In-stock
      1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045349
      3097-21-0

    References

    • Vernin, Gaston; Domlog, Hicham; Siv, Chan; Metzger, Jaques; El-Shafei, Ahmed Kamal Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 85 - 89
  • Route2
    • 1,3-Dihydro-2H-benzo[d]imidazol-2-one Rabeprazole Impurity|CS-0166731
      615-16-7
    • null|null
      616-38-6
    • ~99%
    • In-stock
      1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045349
      3097-21-0

    References

    • Fu, Yue; Baba, Toshihide; Ono, Yoshio Journal of Catalysis, 2001 , vol. 197, # 1 p. 91 - 97
  • Route3
    • In-stock
      1-Methyl-1H-benzo[d]imidazol-2(3H)-one|CS-0035509
      1849-01-0
    • null|null
      616-38-6
    • ~99%
    • In-stock
      1,3-Dimethyl-1H-benzo[d]imidazol-2(3H)-one|CS-0045349
      3097-21-0

    References

    • Fu, Yue; Baba, Toshihide; Ono, Yoshio Journal of Catalysis, 2001 , vol. 197, # 1 p. 91 - 97

Safety Information

Download SDS
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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.93
  • LogP   0.877
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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