Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 850429-58-2, 2,5-dibromo-1,4-dimethylimidazole, Schembl12926020, Dtxsid50428396, Zinc4352755, Mfcd06659900
Molecular Formula
C5H6Br2N2
Molecular Weight
253.92  g/mol
InChI Key
AFIOEMVCUQOFOH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,5-dibromo-1,4-dimethylimidazole
2.1.2 InChI
InChI=1S/C5H6Br2N2/c1-3-4(6)9(2)5(7)8-3/h1-2H3
2.1.3 InChI Key
AFIOEMVCUQOFOH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(N(C(=N1)Br)C)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 850429-58-2

2. 2,5-dibromo-1,4-dimethylimidazole

3. Schembl12926020

4. Dtxsid50428396

5. Zinc4352755

6. Mfcd06659900

7. Akos015835075

8. Ab26582

9. Am804399

10. As-63275

11. Cs-0456271

12. A863796

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 253.92 g/mol
Molecular Formula C5H6Br2N2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass253.88772 g/mol
Monoisotopic Mass251.88977 g/mol
Topological Polar Surface Area17.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity109
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1