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384815-46-7 | [2-(1H-benzimidazol-2-yl)-4,5-dimethoxyphenyl]amine
CAS No: 384815-46-7 Catalog No: AG01F8VY MDL No:
Product Description
Catalog Number:
AG01F8VY
Chemical Name:
[2-(1H-benzimidazol-2-yl)-4,5-dimethoxyphenyl]amine
CAS Number:
384815-46-7
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
2-(1H-benzimidazol-2-yl)-4,5-dimethoxyaniline
InChI:
InChI=1S/C15H15N3O2/c1-19-13-7-9(10(16)8-14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChI Key:
VJVQSUCPCPHNOG-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)N)c1nc2c([nH]1)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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