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Home > Imidazoles > 302602-94-4
302602-94-4 | Benzoic acid, 2-[(2-phenyl-1H-imidazol-1-yl)carbonyl]-
CAS No: 302602-94-4 Catalog No: AG002ZDX MDL No:MFCD00407444
Product Description
Catalog Number:
AG002ZDX
Chemical Name:
Benzoic acid, 2-[(2-phenyl-1H-imidazol-1-yl)carbonyl]-
CAS Number:
302602-94-4
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
MDL Number:
MFCD00407444
IUPAC Name:
2-(2-phenylimidazole-1-carbonyl)benzoic acid
InChI:
InChI=1S/C17H12N2O3/c20-16(13-8-4-5-9-14(13)17(21)22)19-11-10-18-15(19)12-6-2-1-3-7-12/h1-11H,(H,21,22)
InChI Key:
CGERIIAODKVBAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)n1ccnc1c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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