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Home > Imidazoles > 4404-32-4
4404-32-4 | (1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N'-HYDROXYETHANIMIDAMIDE
CAS No: 4404-32-4 Catalog No: AG00DBIL MDL No:MFCD06014273
Product Description
Catalog Number:
AG00DBIL
Chemical Name:
(1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N'-HYDROXYETHANIMIDAMIDE
CAS Number:
4404-32-4
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
MDL Number:
MFCD06014273
IUPAC Name:
2-(1H-benzimidazol-2-yl)-N'-hydroxyethanimidamide
InChI:
InChI=1S/C9H10N4O/c10-8(13-14)5-9-11-6-3-1-2-4-7(6)12-9/h1-4,14H,5H2,(H2,10,13)(H,11,12)
InChI Key:
WKGKAABDZKCWKQ-UHFFFAOYSA-N
SMILES:
ONC(=N)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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