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Home > Imidazoles > 1417794-13-8
1417794-13-8 | Carbamic acid, N-[1-(6-nitro-1H-benzimidazol-2-yl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1417794-13-8 Catalog No: AG001H5I MDL No:MFCD22631650
Product Description
Catalog Number:
AG001H5I
Chemical Name:
Carbamic acid, N-[1-(6-nitro-1H-benzimidazol-2-yl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1417794-13-8
Molecular Formula:
C17H23N5O4
Molecular Weight:
361.3956
MDL Number:
MFCD22631650
IUPAC Name:
tert-butyl N-[1-(6-nitro-1H-benzimidazol-2-yl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H23N5O4/c1-17(2,3)26-16(23)18-11-6-8-21(9-7-11)15-19-13-5-4-12(22(24)25)10-14(13)20-15/h4-5,10-11H,6-9H2,1-3H3,(H,18,23)(H,19,20)
InChI Key:
NFABYLXQBYWZJK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.175g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.402g/mol
Monoisotopic Mass:
361.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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