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Home > Imidazoles > 192637-18-6
192637-18-6 | Benzoic acid, 4-[(2-methyl-1H-imidazol-1-yl)methyl]-
CAS No: 192637-18-6 Catalog No: AG002G5D MDL No:MFCD09743476
Product Description
Catalog Number:
AG002G5D
Chemical Name:
Benzoic acid, 4-[(2-methyl-1H-imidazol-1-yl)methyl]-
CAS Number:
192637-18-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09743476
IUPAC Name:
4-[(2-methylimidazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C12H12N2O2/c1-9-13-6-7-14(9)8-10-2-4-11(5-3-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
ZZIJCEAXGOLEIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cn1ccnc1C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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