chempirical

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide

C22H16N4O3CAS 301836-41-9384.40 g/mol

Open in Covalent MOL file
NH2ONNOOHN
AcetalAmideEther

Properties

Molecular formula
C22H16N4O3
Molar mass
384.40 g/mol
Exact mass
384.1222 Da
logP
3.63Crippen estimate
Polar surface area
103.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

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
301836-41-9
SMILES
NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1
InChIKey
FHYUGAJXYORMHI-UHFFFAOYSA-N
InChI
InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)

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Names and synonyms

5 names
  • Sb-431542
  • Benzamide, 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-
  • 4-[4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide
  • SB 431542
  • SB 431412

Work with 4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide

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-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-534 % similar 4-Phenylbenzamide3815-20-133 % similar 4-(2-Pyridyl)benzoic acid4385-62-033 % similar Piperonyloyl chloride25054-53-932 % similar 5-Acetyl-1,3-benzodioxole3162-29-632 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-132 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-032 % similar 3,4-Methylenedioxypropiophenone28281-49-431 % similar

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

Elsewhere

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