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Home > Imidazoles > 1177113-48-2
1177113-48-2 | 3a-Methyl-decahydro-benzo[d]pyrrolo[1,2-a]imidazol-1-one
CAS No: 1177113-48-2 Catalog No: AG01F7EW MDL No:
Product Description
Catalog Number:
AG01F7EW
Chemical Name:
3a-Methyl-decahydro-benzo[d]pyrrolo[1,2-a]imidazol-1-one
CAS Number:
1177113-48-2
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
IUPAC Name:
3a-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
InChI:
InChI=1S/C11H18N2O/c1-11-7-6-10(14)13(11)9-5-3-2-4-8(9)12-11/h8-9,12H,2-7H2,1H3
InChI Key:
QVZRIYOVGFHMGY-UHFFFAOYSA-N
SMILES:
O=C1CCC2(N1C1CCCCC1N2)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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