chempirical

Plinabulin

C19H20N4O2CAS 714272-27-2336.40 g/mol

Open in Covalent MOL file
HNNNOHNHO
Alkene

Properties

Molecular formula
C19H20N4O2
Molar mass
336.40 g/mol
Exact mass
336.1586 Da
logP
1.57Crippen estimate
Polar surface area
94.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
714272-27-2
SMILES
CC(C)(C)c1[nH]cnc1/C=c1nc(O)/c(=C/c2ccccc2)nc1O
InChIKey
UNRCMCRRFYFGFX-TYPNBTCFSA-N
InChI
InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-

Weigh it out

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Names and synonyms

4 names
  • 2,5-Piperazinedione, 3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)-, (3Z,6Z)-
  • (3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-(phenylmethylene)-2,5-piperazinedione
  • NPI 2358
  • BPI 2358

Work with Plinabulin

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

4-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde714273-83-342 % similar 2-(Acetylamino)-3-phenyl-2-propenoic acid5469-45-435 % similar 4-Methyl-3-oxo-N-phenyl-2-(phenylmethylene)pentanamide125971-57-530 % similar

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

Elsewhere

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