4,5-Diphenylimidazole

C₁₅H₁₂N₂CAS 668-94-0220.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₂N₂
Molar mass: 220.28 g/mol
Exact mass: 220.1000 Da
Melting point: 232–233 °C
logP: 3.74Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

668-94-0

SMILES

c1ccc(-c2nc[nH]c2-c2ccccc2)cc1

InChIKey

CPHGOBGXZQKCKI-UHFFFAOYSA-N

InChI

InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Imidazole, 4,5-diphenyl-
Imidazole, 4,5-diphenyl-
4,5-Diphenyl-1H-imidazole
NSC 59776

Work with 4,5-Diphenylimidazole

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

2,4,5-Triphenylimidazole484-47-947 % similar 3-Methyl-2-phenylpyridine10273-90-243 % similar 4,5-Diphenyl-2-imidazolethiol2349-58-842 % similar 2-Hydroxy-3-phenylpyrazine2882-18-042 % similar 2-Phenylimidazole670-96-240 % similar 2,3-Diphenylquinoxaline1684-14-639 % similar 4-Phenylimidazole670-95-139 % similar 3-Bromo-2-phenylpyridine91182-50-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Diphenylimidazole670-83-7 [(Diphenylmethylene)amino]acetonitrile70591-20-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook