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Home > Imidazoles > 1420975-12-7
1420975-12-7 | Carbamic acid, N-[2-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS No: 1420975-12-7 Catalog No: AG001HRY MDL No:
Product Description
Catalog Number:
AG001HRY
Chemical Name:
Carbamic acid, N-[2-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-oxoethyl]-, 1,1-dimethylethyl ester
CAS Number:
1420975-12-7
Molecular Formula:
C19H26N4O3
Molecular Weight:
358.4347
IUPAC Name:
tert-butyl N-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
InChI:
InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-12-16(24)23-10-8-13(9-11-23)17-21-14-6-4-5-7-15(14)22-17/h4-7,13H,8-12H2,1-3H3,(H,20,25)(H,21,22)
InChI Key:
PDCSQSOJTGXBBB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)N1CCC(CC1)c1nc2c([nH]1)cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.2g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.442g/mol
Monoisotopic Mass:
358.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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