Basic information
- CAS
6276-48-8- Standard SMILES
CC1=Nc2ccccc2NC(=O)C1- InChIKey
AFHSLLLKMSITIA-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
- IUPAC
- 4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
- English name
- 1,3-dihydro-4-methyl-2H-1,5-benzodiazepin-2-one
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
6276-48-81,3-Dihydro-4-methyl-2H-1,5-benzodiazepin-2-one4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-oneDTXSID60211832RefChem:1071072DTXCID90134323228-473-04-methyl-1,3-dihydro-1,5-benzodiazepin-2-one4-Methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one4-Methyl-1H-benzo[b][1,4]diazepin-2(3H)-one4-Methyl-1,3-dihydro-2h-benzo[b][1,4]diazepin-2-oneNSC36329
Show more names
Vildagliptin Impurity 874-Methyl-1H-1,5-benzodiazepine-2(3H)-one
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-2,3-Dihydro-4-methyl-1H-1,5-benzodiazepin-2-oneFlibanserin Impurity 34-Methyl-1,3-dihydro-benzo[b][1,4]diazepin-2-oneEINECS 228-473-0MFCD00524790Oprea1_221199Oprea1_262593
Database identifiers
- CAS
6276-48-8- PubChem CID
- 80469
- DTXSID
DTXSID60211832- EC Number
- 228-473-0
- Nikkaji
- J211.514J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Chemistry & industry
Applications
Uses4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one is used in the preparation of benzodiazepine pharmacophores, including s-triazine derivatives which display medicinal interest. Also an impurity of Filbanserin (F336750), an agonist of serotonin-5HT1A receptor and an antagonist of the 5-HT2A receptor. Binds dopamine receptors with Ki values ranging from 4-24 nM. Used to treat hypoactive sexual desire disorder in females.
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Related reactions
0 records
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Compound notes
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