1,3,5-Tri(1H-imidazol-1-yl)benzene

C₁₅H₁₂N₆CAS 528543-96-6276.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₂N₆
Molar mass: 276.30 g/mol
Exact mass: 276.1123 Da
logP: 2.24Crippen estimate
Polar surface area: 53.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

528543-96-6

SMILES

C1=CN(C=N1)C2=CC(=CC(=C2)N3C=CN=C3)N4C=CN=C4

InChIKey

QAPWMCQWTGBLSM-UHFFFAOYSA-N

InChI

InChI=1S/C15H12N6/c1-4-19(10-16-1)13-7-14(20-5-2-17-11-20)9-15(8-13)21-6-3-18-12-21/h1-12H

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Work with 1,3,5-Tri(1H-imidazol-1-yl)benzene

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

1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-364 % similar 1-Phenylimidazole7164-98-963 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-358 % similar 1-(4-Bromophenyl)imidazole10040-96-756 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-856 % similar 1-(4-Fluorophenyl)imidazole21441-24-756 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-356 % similar 1-(3-Fluorophenyl)imidazole25372-42-355 % similar

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

Same formula

1,3,5-Tris(pyrazol-4-yl)benzene1325728-09-3

Elsewhere

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