200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 886502-72-3
886502-72-3 | 3-[2-(3,4-Dimethoxy-benzyl)-benzoimidazol-1-yl]-2-methyl-propionic acid
CAS No: 886502-72-3 Catalog No: AG01EYF6 MDL No:
Product Description
Catalog Number:
AG01EYF6
Chemical Name:
3-[2-(3,4-Dimethoxy-benzyl)-benzoimidazol-1-yl]-2-methyl-propionic acid
CAS Number:
886502-72-3
Molecular Formula:
C20H22N2O4
Molecular Weight:
354.3997
IUPAC Name:
3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-2-methylpropanoic acid
InChI:
InChI=1S/C20H22N2O4/c1-13(20(23)24)12-22-16-7-5-4-6-15(16)21-19(22)11-14-8-9-17(25-2)18(10-14)26-3/h4-10,13H,11-12H2,1-3H3,(H,23,24)
InChI Key:
HFUWLJHUWPHITE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cc1nc2c(n1CC(C(=O)O)C)cccc2
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.406g/mol
Monoisotopic Mass:
354.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.