200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 198969-52-7
198969-52-7 | 2H-Benzimidazol-2-one, 1-(1-butyl-4-piperidinyl)-1,3-dihydro-, ethanedioate (1:1)
CAS No: 198969-52-7 Catalog No: AG002BU1 MDL No:
Product Description
Catalog Number:
AG002BU1
Chemical Name:
2H-Benzimidazol-2-one, 1-(1-butyl-4-piperidinyl)-1,3-dihydro-, ethanedioate (1:1)
CAS Number:
198969-52-7
Molecular Formula:
C18H25N3O5
Molecular Weight:
363.4082
IUPAC Name:
3-(1-butylpiperidin-4-yl)-1H-benzimidazol-2-one;oxalic acid
InChI:
InChI=1S/C16H23N3O.C2H2O4/c1-2-3-10-18-11-8-13(9-12-18)19-15-7-5-4-6-14(15)17-16(19)20;3-1(4)2(5)6/h4-7,13H,2-3,8-12H2,1H3,(H,17,20);(H,3,4)(H,5,6)
InChI Key:
GMDFJIJNFIKGNV-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.414g/mol
Monoisotopic Mass:
363.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.