200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 1072-89-5
1072-89-5 | 4,5-Dimethyl-1H-imidazol-2(3H);-one
CAS No: 1072-89-5 Catalog No: AG007T7Q MDL No:MFCD00459895
Product Description
Catalog Number:
AG007T7Q
Chemical Name:
4,5-Dimethyl-1H-imidazol-2(3H);-one
CAS Number:
1072-89-5
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD00459895
IUPAC Name:
4,5-dimethyl-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C5H8N2O/c1-3-4(2)7-5(8)6-3/h1-2H3,(H2,6,7,8)
InChI Key:
JRKFAGHOOSDGOQ-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)[nH]c1C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.