chempirical

Imidocarb dipropionate

C22H26N6O3CAS 55750-06-6422.49 g/mol

Open in Covalent MOL file
OOHOHNNNHNHNHN
AmidineCarboxylic acid

Properties

Molecular formula
C22H26N6O3
Molar mass
422.49 g/mol
Exact mass
422.2066 Da
logP
2.52Crippen estimate
Polar surface area
130.7 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5

Identifiers

CAS number
55750-06-6
SMILES
CCC(=O)O.OC(=Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
InChIKey
IRPJGGHUXQZOQW-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N6O.C3H6O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;1-2-3(4)5/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2H2,1H3,(H,4,5)

Weigh it out

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

Names and synonyms

7 names
  • Propanoic acid, compd. with N,N′-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)
  • Urea, N,N′-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, dipropanoate
  • Imizol
  • Imizol (antiprotozoal)
  • N,N′-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dipropanoate
  • Carbesia
  • Imidox

Work with Imidocarb dipropionate

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

Imidocarb27885-92-378 % similar 2-Phenylimidazoline936-49-238 % similar 1,3-Diphenylurea102-07-835 % similar Forchlorfenuron68157-60-833 % similar Boc-3-aminobenzoic acid111331-82-932 % similar (1R,2R)-2-[[4′-[[(Phenylamino)carbonyl]amino][1,1′-biphenyl]-4-yl]carbonyl]cyclopentanecarboxylic acid959122-11-332 % similar 3-Methylhippuric acid27115-49-731 % similar 3-Acetamidobenzoic acid587-48-431 % similar

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

Elsewhere

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