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Home > Imidazoles > 33138-04-4
33138-04-4 | 3-(5-Methyl-1H-benzoimidazol-2-yl)-propionic acid
CAS No: 33138-04-4 Catalog No: AG01EUZ3 MDL No:
Product Description
Catalog Number:
AG01EUZ3
Chemical Name:
3-(5-Methyl-1H-benzoimidazol-2-yl)-propionic acid
CAS Number:
33138-04-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
3-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C11H12N2O2/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
YYJSUIBVPUFHLD-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c([nH]1)ccc(c2)C
NSC Number:
54401
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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