1,4-Bis(imidazole-L-ylmethyl)benzene

C₁₄H₁₄N₄CAS 56643-83-5238.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₄N₄
Molar mass: 238.29 g/mol
Exact mass: 238.1218 Da
logP: 2.18Crippen estimate
Polar surface area: 35.6 Å²
H-bond donors / acceptors: 0 / 2
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

56643-83-5

SMILES

C1=CC(=CC=C1CN2C=CN=C2)CN3C=CN=C3

InChIKey

NKUFFYFOBGGDTP-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N4/c1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2

Weigh it out

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Names and synonyms

1 names

1,1'-(1,4-Phenylenebis(methylene))di(1H-imidazole)

Work with 1,4-Bis(imidazole-L-ylmethyl)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-Benzylimidazole4238-71-580 % similar Ozagrel82571-53-755 % similar 1-(2-Phenylethyl)-1H-imidazole49823-14-553 % similar Ozagrel sodium130952-46-451 % similar Ozagrel sodium189224-26-851 % similar Ozagrel hydrochloride78712-43-351 % similar 1-Ethylimidazole7098-07-948 % similar Imidazole-1-ethanol1615-14-145 % similar

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

Elsewhere

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