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121477-79-0

121477-79-0 | Ethanol, 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]-

CAS No: 121477-79-0 Catalog No: AG00150T MDL No:MFCD00965581

Product Description

Catalog Number:
AG00150T
Chemical Name:
Ethanol, 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]-
CAS Number:
121477-79-0
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD00965581
IUPAC Name:
2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol
InChI:
InChI=1S/C11H15N3O2/c1-2-16-8-3-4-9-10(7-8)14-11(13-9)12-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14)
InChI Key:
WBOZZYVRQGMWHG-UHFFFAOYSA-N
SMILES:
OCCNc1nc2c([nH]1)cc(cc2)OCC

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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