chempirical

1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one

C15H12N2OCAS 2898-08-0236.27 g/mol

Open in Covalent MOL file
OHNN
Imine

Properties

Molecular formula
C15H12N2O
Molar mass
236.27 g/mol
Exact mass
236.0950 Da
Melting point
170–180 °C
logP
3.13Crippen estimate
Polar surface area
45.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2898-08-0
SMILES
OC1=Nc2ccccc2C(c2ccccc2)=NC1
InChIKey
IVUAAOBNUNMJQC-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-phenyl-
  • Dechlorodemethyldiazepam
  • 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one
  • Ro 05-2921
  • Desmethyldechlorodiazepam
  • Ro 5-2921
  • 1,2-Dihydro-5-phenyl-3H-1,4-benzodiazepin-2-one
  • 5-Phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one
  • NSC 656624
  • 5-Phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one
  • 5-Phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Work with 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nitrazepam146-22-559 % similar Delorazepam2894-67-951 % similar Phenazepam51753-57-249 % similar N-(2-Benzoylphenyl)-2-bromoacetamide14439-71-549 % similar Desalkylflurazepam2886-65-948 % similar 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione4547-02-845 % similar Bromazepam1812-30-244 % similar Clonazepam1622-61-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Carbamazepine298-46-4

Elsewhere

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