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100622-41-1 | 1H-Benzimidazole, 2-[(4-bromophenyl)methyl]-
CAS No: 100622-41-1 Catalog No: AG0002IT MDL No:MFCD00273342
Product Description
Catalog Number:
AG0002IT
Chemical Name:
1H-Benzimidazole, 2-[(4-bromophenyl)methyl]-
CAS Number:
100622-41-1
Molecular Formula:
C14H11BrN2
Molecular Weight:
287.1545
MDL Number:
MFCD00273342
IUPAC Name:
2-[(4-bromophenyl)methyl]-1H-benzimidazole
InChI:
InChI=1S/C14H11BrN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChI Key:
RCFICICMGDCINS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.16g/mol
Monoisotopic Mass:
286.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| 2-(2,2,2-Trifluoroethyl)-5,6-dichlorobenzimidazole derivatives as potent androgen receptor antagonists. | Bioorganic & medicinal chemistry letters 20070215 |
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