1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one

Name: 1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one
Brand: ChemScene
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CAS No. 52099-72-6
Cat. No. CS-W017499
Molecule weight174.20
Purity≥98%
MDL No.MFCD00218253

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Type	HazMat Fee
Excepted Quantity	$0.00
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1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one|CS-W017499

Structure of 52099-72-6

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General Information

CAS No. 52099-72-6
Cat. No. CS-W017499
Purity ≥98%
MDL No. MFCD00218253
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀N₂O
Molecular Weight 174.20
Synonym(s) 1-Isopropenyl-2-benzimidazolidinone
SMILES CC(=C)N1C(=O)NC2=C1C=CC=C2

Description

1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one features a conjugated enone system fused to a benzimidazolone core, delivering enhanced electrophilicity at the carbonyl and reactive β-position. This structural motif enables direct incorporation into cycloaddition and transition-metal-catalyzed coupling reactions. The molecule exhibits bench-stable handling under standard conditions with favorable solubility in common organic solvents.

Application

1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted benzimidazolones via electrophilic addition and subsequent functionalization. Its conjugated enone system offers enhanced stability and facilitates regioselective transformations under mild conditions. The molecule functions effectively in transition-metal-catalyzed coupling reactions and provides a robust scaffold for medicinal chemistry campaigns requiring planar, electron-deficient aromatic systems with tunable substituent presentation.

Synthesis

Route1
- In-stock
  
  141-97-9
- 95-54-5
- ~88%
- In-stock
  
  52099-72-6
References
- Achour, Reddouane; Zniber, Rachid Bulletin des Societes Chimiques Belges, 1987 , vol. 96, # 10 p. 787 - 792
Route2
- In-stock
  
  105-45-3
- 95-54-5
- ~78%
- In-stock
  
  52099-72-6
References
- Remond; Portevin; Bonnet; Canet; Regoli; De Nanteuil European Journal of Medicinal Chemistry, 1997 , vol. 32, # 11 p. 843 - 868
Route3
- In-stock
  
  141-97-9
- 95-54-5
- ~75%
- In-stock
  
  52099-72-6
- 81128-80-5
References
- Vernin, Gaston; Domlog, Hicham; Siv, Chan; Metzger, Jaques; El-Shafei, Ahmed Kamal Journal of Heterocyclic Chemistry, 1981 , vol. 18, p. 85 - 89

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 37.79
LogP 1.8202
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

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1-(Prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one

CAS No. 52099-72-6

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