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850429-53-7 molecular structure
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2,5-dibromo-1-(triphenylmethyl)-1H-imidazole

ChemBase ID: 89934
Molecular Formular: C22H16Br2N2
Molecular Mass: 468.18384
Monoisotopic Mass: 465.96802252
SMILES and InChIs

SMILES:
n1c(n(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(c1)Br)Br
Canonical SMILES:
Brc1ncc(n1C(c1ccccc1)(c1ccccc1)c1ccccc1)Br
InChI:
InChI=1S/C22H16Br2N2/c23-20-16-25-21(24)26(20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey:
GGUUMQXVXRVHTE-UHFFFAOYSA-N

Cite this record

CBID:89934 http://www.chembase.cn/molecule-89934.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dibromo-1-(triphenylmethyl)-1H-imidazole
IUPAC Traditional name
2,5-dibromo-1-(triphenylmethyl)imidazole
Synonyms
2,5-Dibromo-1-trityl-1H-imidazole
2,5-Dibromo-1-trityl-1H-imidazole 95%
2,5-DIBROMO-1-TRITYLIMIDAZOLE
CAS Number
850429-53-7
MDL Number
MFCD04115731
PubChem SID
162076789
PubChem CID
5000572

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.7659454  LogD (pH = 7.4) 6.768549 
Log P 6.7685823  Molar Refractivity 113.9893 cm3
Polarizability 43.240414 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
154-158°C expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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