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Home > Imidazoles > 61690-08-2
61690-08-2 | 1-METHYL-2-[(4-METHYL-1,3-THIAZOL-2-YL)METHYL]-1H-BENZIMIDAZOLE
CAS No: 61690-08-2 Catalog No: AG00F4W3 MDL No:MFCD05723279
Product Description
Catalog Number:
AG00F4W3
Chemical Name:
1-METHYL-2-[(4-METHYL-1,3-THIAZOL-2-YL)METHYL]-1H-BENZIMIDAZOLE
CAS Number:
61690-08-2
Molecular Formula:
C13H13N3S
Molecular Weight:
243.3274
MDL Number:
MFCD05723279
IUPAC Name:
4-methyl-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
InChI:
InChI=1S/C13H13N3S/c1-9-8-17-13(14-9)7-12-15-10-5-3-4-6-11(10)16(12)2/h3-6,8H,7H2,1-2H3
InChI Key:
DHVGNTYYIGISAL-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)Cc1nc2c(n1C)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.328g/mol
Monoisotopic Mass:
243.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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