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Home > Imidazoles > 129226-09-1
129226-09-1 | 1H-Benzimidazole, 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-
CAS No: 129226-09-1 Catalog No: AG000YYK MDL No:
Product Description
Catalog Number:
AG000YYK
Chemical Name:
1H-Benzimidazole, 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-
CAS Number:
129226-09-1
Molecular Formula:
C19H22N2
Molecular Weight:
278.3914
IUPAC Name:
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
InChI:
InChI=1S/C19H22N2/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)
InChI Key:
SOGGLHQFUVHVFT-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(c1nc2c([nH]1)cccc2)C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.399g/mol
Monoisotopic Mass:
278.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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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