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41927-03-1 | Guanidine, (5-methyl-1H-benzimidazol-2-yl)- (9CI)
CAS No: 41927-03-1 Catalog No: AG00CW72 MDL No:
Product Description
Catalog Number:
AG00CW72
Chemical Name:
Guanidine, (5-methyl-1H-benzimidazol-2-yl)- (9CI)
CAS Number:
41927-03-1
IUPAC Name:
2-(6-methyl-1H-benzimidazol-2-yl)guanidine
InChI:
InChI=1S/C9H11N5/c1-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14)
InChI Key:
NFVKSWJIGKATLV-UHFFFAOYSA-N
NSC Number:
123537
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.222g/mol
Monoisotopic Mass:
189.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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