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54980-92-6 | 1H-Benzimidazole-1-acetamide(9CI)
CAS No: 54980-92-6 Catalog No: AG00DWIX MDL No:MFCD02128563
Product Description
Catalog Number:
AG00DWIX
Chemical Name:
1H-Benzimidazole-1-acetamide(9CI)
CAS Number:
54980-92-6
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD02128563
IUPAC Name:
2-(benzimidazol-1-yl)acetamide
InChI:
InChI=1S/C9H9N3O/c10-9(13)5-12-6-11-7-3-1-2-4-8(7)12/h1-4,6H,5H2,(H2,10,13)
InChI Key:
JGUIKGIYNJGAGH-UHFFFAOYSA-N
SMILES:
NC(=O)Cn1cnc2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Structure-activity relationships of novel heteroaryl-acrylonitriles as cytotoxic and antibacterial agents. | European journal of medicinal chemistry 20080901 |
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