Benznidazole

C12H12N4O3CAS 22994-85-0260.25 g/mol

Open in Covalent MOL file
ON+O−NNONH
Nitro

Properties

Molecular formula
C12H12N4O3
Molar mass
260.25 g/mol
Exact mass
260.0909 Da
Melting point
189 °C
logP
1.95Crippen estimate
Polar surface area
93.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22994-85-0
SMILES
O=[N+]([O-])c1nccn1CC(O)=NCc1ccccc1
InChIKey
CULUWZNBISUWAS-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)

Weigh it out

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

Names and synonyms

12 names
  • 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-
  • Imidazole-1-acetamide, N-benzyl-2-nitro-
  • 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide
  • Ro 07-1051
  • Ro 71051
  • N-Benzyl-2-nitroimidazol-1-yl-acetamide
  • Radanil
  • Benzonidazole
  • Benzonidazol
  • Benznidazol
  • Rochagan
  • NSC 299972

Work with Benznidazole

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

N-Benzyl-2-chloroacetamide2564-06-940 % similar 3-Oxo-N-(phenylmethyl)butanamide882-36-039 % similar N-(Phenylmethyl)hexadecanamide74058-71-236 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-334 % similar Nitrazepam146-22-534 % similar N-Benzylbenzamide1485-70-733 % similar N-Benzylacetamide588-46-533 % similar 3-Nitropyridine-2-carboxylic acid59290-85-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Furafylline80288-49-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook