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886508-53-8 | 5-(Aminomethyl);-1,3-dimethyl-1H-benzo[d]imidazol-2(3H);-one
CAS No: 886508-53-8 Catalog No: AG0048LZ MDL No:MFCD05022455
Product Description
Catalog Number:
AG0048LZ
Chemical Name:
5-(Aminomethyl);-1,3-dimethyl-1H-benzo[d]imidazol-2(3H);-one
CAS Number:
886508-53-8
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD05022455
IUPAC Name:
5-(aminomethyl)-1,3-dimethylbenzimidazol-2-one
InChI:
InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3
InChI Key:
GDVGETHSXBLPHM-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)n(C)c(=O)n2C
Properties
Complexity:
244
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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