1-Methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
Product Specifications
- CAS
- 1849-01-0
- MF
- C8H8N2O
- Appearance
- beige to off-white solid
- Synonym(s)
- 1,3-Dihydro-1-methyl-2H-benzimidazol-2-one；1-methyl-1,3-dihydro-2H-benzimidazol-2-one；1,3-Dihydro-1-methyl-2H-benzimidazol-2-one；2H-BenziMidazol-2-one, 1,3-dihydro-1-Methyl-; 1-Methyl-1H-benzo[d]iMidazol-2(3H)-one
- Shipping
- ambient temperature
- Storage
- 2-8°C
PubChem assigns CAS 1849-01-0 to CID 590540, titled 1-Methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one. The molecular formula is C8H8N2O. SMILES CN1C2=CC=CC=C2NC1=O and InChIKey PYEHNKXDXBNHQQ-UHFFFAOYSA-N match the Rlavie record. “1-Methyl-2-benzimidazolinone” is explicitly included in PubChem’s official synonym set.
The fused framework contains a benzene ring joined to a five-membered ring with two nitrogens and a carbonyl carbon. One ring nitrogen bears methyl, while the other retains hydrogen in the recorded lactam graph. Six benzene carbons, the carbonyl carbon, and the N-methyl carbon total eight in C8H8N2O. PubChem encodes a single neutral component without a counterion or stereochemical layer. “Benzimidazolinone,” “benzimidazol-2-one,” and the systematic “1,3-benzodiazol-2-one” terminology can describe this same fused cyclic urea arrangement. The exact SMILES fixes which atom bears methyl and confirms that oxygen is carbonyl-bound rather than a detached oxide. The two nitrogens remain distinguished by their bonding and hydrogen assignments.
When contacting Rlavie about this entry, quote CAS 1849-01-0, CID 590540, and the preferred H1. Include the requested quantity and request-specific information for record matching. A MOL or SDF structure file can be attached; check its fused-ring closure, N-methyl bond, N-H position, and carbonyl against CN1C2=CC=CC=C2NC1=O. InChIKey PYEHNKXDXBNHQQ-UHFFFAOYSA-N supplies the final exact reference before the inquiry is associated with this benzodiazolone identity.