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296273-25-1 | 1H-Benzimidazole, 2-[[(4-bromophenyl)methyl]thio]-
CAS No: 296273-25-1 Catalog No: AG002YX1 MDL No:
Product Description
Catalog Number:
AG002YX1
Chemical Name:
1H-Benzimidazole, 2-[[(4-bromophenyl)methyl]thio]-
CAS Number:
296273-25-1
Molecular Formula:
C14H11BrN2S
Molecular Weight:
319.2195
IUPAC Name:
2-[(4-bromophenyl)methylsulfanyl]-1H-benzimidazole
InChI:
InChI=1S/C14H11BrN2S/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChI Key:
SSZXTFFESFXOKA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CSc1nc2c([nH]1)cccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.983g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.22g/mol
Monoisotopic Mass:
317.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Synthesis and preliminary evaluation of benzimidazole derivatives as antimicrobial agents. | European journal of medicinal chemistry 20020501 |
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