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571149-58-1 | Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(1-methylethyl)- (9CI)
CAS No: 571149-58-1 Catalog No: AG00EHT2 MDL No:
Product Description
Catalog Number:
AG00EHT2
Chemical Name:
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-(1-methylethyl)- (9CI)
CAS Number:
571149-58-1
IUPAC Name:
3-methyl-1-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
InChI:
InChI=1S/C16H15N3/c1-10(2)15-8-11(3)12(9-17)16-18-13-6-4-5-7-14(13)19(15)16/h4-8,10H,1-3H3
InChI Key:
QIURXNZSHHXMSX-UHFFFAOYSA-N
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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