Home Aminos 1-Propanol,3-[(1-ethyl-1H-benzimidazol-2-yl)amino]-(9CI)

1-Propanol,3-[(1-ethyl-1H-benzimidazol-2-yl)amino]-(9CI)

CAS No.:
631843-69-1
Catalog Number:
AG00F9BW
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
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Product Description
Catalog Number:
AG00F9BW
Chemical Name:
1-Propanol,3-[(1-ethyl-1H-benzimidazol-2-yl)amino]-(9CI)
CAS Number:
631843-69-1
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD05987832
IUPAC Name:
3-[(1-ethylbenzimidazol-2-yl)amino]propan-1-ol
InChI:
InChI=1S/C12H17N3O/c1-2-15-11-7-4-3-6-10(11)14-12(15)13-8-5-9-16/h3-4,6-7,16H,2,5,8-9H2,1H3,(H,13,14)
InChI Key:
XZQRZLSYXRJVPG-UHFFFAOYSA-N
SMILES:
OCCCNc1nc2c(n1CC)cccc2
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties