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Home Other Building Blocks 1H-Benzimidazol-2-amine, 1-ethyl-

1H-Benzimidazol-2-amine, 1-ethyl-

CAS No.:
1622-58-8
Catalog Number:
AG001SW0
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
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Product Description
Catalog Number:
AG001SW0
Chemical Name:
1H-Benzimidazol-2-amine, 1-ethyl-
CAS Number:
1622-58-8
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD00159978
IUPAC Name:
1-ethylbenzimidazol-2-amine
InChI:
InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
InChI Key:
AQOCOHSUICOLQL-UHFFFAOYSA-N
SMILES:
CCn1c(N)nc2c1cccc2
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. Journal of medicinal chemistry 20090723
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
Properties