chempirical

Tris[4-(1H-imidazol-1-yl)-phenyl]amine

C27H21N7CAS 1258947-79-3443.51 g/mol

Open in Covalent MOL file
NNNNNNN
Tertiary amine

Properties

Molecular formula
C27H21N7
Molar mass
443.51 g/mol
Exact mass
443.1858 Da
logP
5.71Crippen estimate
Polar surface area
56.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
1258947-79-3
SMILES
C1=CC(=CC=C1N2C=CN=C2)N(C3=CC=C(C=C3)N4C=CN=C4)C5=CC=C(C=C5)N6C=CN=C6
InChIKey
XXDCQSZBEIDWSY-UHFFFAOYSA-N
InChI
InChI=1S/C27H21N7/c1-7-25(8-2-22(1)31-16-13-28-19-31)34(26-9-3-23(4-10-26)32-17-14-29-20-32)27-11-5-24(6-12-27)33-18-15-30-21-33/h1-21H

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Names and synonyms

1 names
  • Tris(4-(1H-imidazol-1-yl)phenyl)amine

Work with Tris[4-(1H-imidazol-1-yl)-phenyl]amine

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-(4-Bromophenyl)imidazole10040-96-762 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-862 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-362 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-656 % similar 4-(1H-Imidazol-1-yl)benzaldehyde10040-98-956 % similar 1-[4-(1H-Imidazol-1-yl)phenyl]ethanone10041-06-251 % similar 1-(4-Nitrophenyl)-1H-imidazole2301-25-951 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-346 % similar

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

Elsewhere

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