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Home > Imidazoles > 785809-33-8
785809-33-8 | Isoquinoline, 2-(1H-benzimidazol-5-ylcarbonyl)-1,2,3,4-tetrahydro-
CAS No: 785809-33-8 Catalog No: AG008MH7 MDL No:
Product Description
Catalog Number:
AG008MH7
Chemical Name:
Isoquinoline, 2-(1H-benzimidazol-5-ylcarbonyl)-1,2,3,4-tetrahydro-
CAS Number:
785809-33-8
Molecular Formula:
C17H15N3O
Molecular Weight:
277.3205
IUPAC Name:
3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
InChI:
InChI=1S/C17H15N3O/c21-17(13-5-6-15-16(9-13)19-11-18-15)20-8-7-12-3-1-2-4-14(12)10-20/h1-6,9,11H,7-8,10H2,(H,18,19)
InChI Key:
FUCSQHGPYAENJH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)nc[nH]2)N1CCc2c(C1)cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.327g/mol
Monoisotopic Mass:
277.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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