1-Methyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one

Name: 1-Methyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one
Brand: ChemScene
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CAS No. 66108-85-8
Cat. No. CS-0127675
Purity≥97%
MDL No.MFCD18157683

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1-Methyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one|CS-0127675

Structure of 66108-85-8

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Description

1-Methyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one features a fused benzimidazole core with electron-deficient character from the para-nitro group and enhanced stability via N-methylation. This bench-stable heterocycle integrates readily into bioactive molecule scaffolds, serving as a key building block in medicinal chemistry for targeted compound libraries.

Application

1-Methyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to biologically active scaffolds. Its structure combines a nitro group for potential reduction and functionalization, alongside a stable benzimidazolone core with predictable reactivity. The molecule exhibits good bench stability and facilitates straightforward derivatization under standard conditions, supporting its use in parallel synthesis campaigns and target-oriented drug discovery workflows.

General Information

CAS No. 66108-85-8
Cat. No. CS-0127675
Purity ≥97%
MDL No. MFCD18157683
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃O₃
Molecular Weight 193.16
Synonym(s) 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES O=C1NC2=CC([N+]([O-])=O)=CC=C2N1C

Computational Chemistry Data

TPSA 80.93
LogP 0.7748
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Key Words

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1-Methyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one

CAS No. 66108-85-8

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