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Home > Imidazoles > 66557-64-0
66557-64-0 | 2-(1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZOTHIAZOLE
CAS No: 66557-64-0 Catalog No: AG00FC6V MDL No:MFCD00856881
Product Description
Catalog Number:
AG00FC6V
Chemical Name:
2-(1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZOTHIAZOLE
CAS Number:
66557-64-0
Molecular Formula:
C15H11N3S
Molecular Weight:
265.3329
MDL Number:
MFCD00856881
IUPAC Name:
2-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H11N3S/c1-2-6-11-10(5-1)16-14(17-11)9-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)
InChI Key:
JLURXEZDKXSDTJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(s2)Cc1[nH]c2c(n1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.334g/mol
Monoisotopic Mass:
265.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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