chempirical

1,2,4,5-Tetra(1H-imidazol-1-yl)benzene

C18H14N8CAS 1220714-37-3342.37 g/mol

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Properties

Molecular formula
C18H14N8
Molar mass
342.37 g/mol
Exact mass
342.1341 Da
logP
2.43Crippen estimate
Polar surface area
71.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1220714-37-3
SMILES
C1=CN(C=N1)C2=CC(=C(C=C2N3C=CN=C3)N4C=CN=C4)N5C=CN=C5
InChIKey
DZKDAFGOBRZQPO-UHFFFAOYSA-N
InChI
InChI=1S/C18H14N8/c1-5-23(11-19-1)15-9-17(25-7-3-21-13-25)18(26-8-4-22-14-26)10-16(15)24-6-2-20-12-24/h1-14H

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Work with 1,2,4,5-Tetra(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

Trim25371-96-447 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-346 % similar 1-(4-Bromophenyl)imidazole10040-96-745 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-845 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-345 % similar 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine114834-02-544 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-641 % similar 4-(1H-Imidazol-1-yl)benzaldehyde10040-98-941 % similar

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

Elsewhere

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