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Home > Imidazoles > 132933-14-3
132933-14-3 | Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(2-oxopropyl)-
CAS No: 132933-14-3 Catalog No: AG0011EG MDL No:
Product Description
Catalog Number:
AG0011EG
Chemical Name:
Imidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(2-oxopropyl)-
CAS Number:
132933-14-3
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
11-methyl-10-(2-oxopropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
InChI:
InChI=1S/C14H17N3O2/c1-9-6-17-13-11(8-16(9)7-10(2)18)4-3-5-12(13)15-14(17)19/h3-5,9H,6-8H2,1-2H3,(H,15,19)
InChI Key:
XPCJMURVODIPLO-UHFFFAOYSA-N
SMILES:
CC(=O)CN1Cc2cccc3c2n(CC1C)c(=O)[nH]3
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin- 2(1H)-one (TIBO) derivatives. | Journal of medicinal chemistry 19910201 |
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