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24134-09-6 molecular structure
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5-bromo-1,2-dimethyl-1H-imidazole

ChemBase ID: 75853
Molecular Formular: C5H7BrN2
Molecular Mass: 175.02648
Monoisotopic Mass: 173.97926023
SMILES and InChIs

SMILES:
n1c(C)n(c(c1)Br)C
Canonical SMILES:
Cn1c(C)ncc1Br
InChI:
InChI=1S/C5H7BrN2/c1-4-7-3-5(6)8(4)2/h3H,1-2H3
InChIKey:
WIRCWIXZNDCIST-UHFFFAOYSA-N

Cite this record

CBID:75853 http://www.chembase.cn/molecule-75853.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-1,2-dimethyl-1H-imidazole
IUPAC Traditional name
5-bromo-1,2-dimethylimidazole
Synonyms
5-Bromo-1,2-dimethyl-1H-imidazole
CAS Number
24134-09-6
MDL Number
MFCD06659905
PubChem SID
162040771
PubChem CID
7204879

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) -0.009601652 
LogD (pH = 7.4) 0.64012367  Log P 0.67062473 
Molar Refractivity 35.755 cm3 Polarizability 13.635404 Å3
Polar Surface Area 17.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
86-90°C expand Show data source
92 - 94°C expand Show data source
Hydrophobicity(logP)
1.154 expand Show data source
Storage Warning
Corrosive/Keep Cold expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% 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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