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Home > Imidazoles > 4887-85-8
4887-85-8 | 1H-Benzimidazole,1-butyl-2-methyl-(9CI)
CAS No: 4887-85-8 Catalog No: AG00DWJR MDL No:
Product Description
Catalog Number:
AG00DWJR
Chemical Name:
1H-Benzimidazole,1-butyl-2-methyl-(9CI)
CAS Number:
4887-85-8
IUPAC Name:
1-butyl-2-methylbenzimidazole
InChI:
InChI=1S/C12H16N2/c1-3-4-9-14-10(2)13-11-7-5-6-8-12(11)14/h5-8H,3-4,9H2,1-2H3
InChI Key:
QFCMOFRLADNCHO-UHFFFAOYSA-N
NSC Number:
345180
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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