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121477-75-6 | Ethanol, 2-[(6-methyl-1H-benzimidazol-2-yl)amino]-
CAS No: 121477-75-6 Catalog No: AG00150U MDL No:MFCD00967560
Product Description
Catalog Number:
AG00150U
Chemical Name:
Ethanol, 2-[(6-methyl-1H-benzimidazol-2-yl)amino]-
CAS Number:
121477-75-6
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD00967560
IUPAC Name:
2-[(6-methyl-1H-benzimidazol-2-yl)amino]ethanol
InChI:
InChI=1S/C10H13N3O/c1-7-2-3-8-9(6-7)13-10(12-8)11-4-5-14/h2-3,6,14H,4-5H2,1H3,(H2,11,12,13)
InChI Key:
INPABJKRULYZFC-UHFFFAOYSA-N
SMILES:
OCCNc1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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