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Home > Imidazoles > 886502-77-8
886502-77-8 | 3-[2-(4-Methoxy-benzyl)-benzoimidazol-1-yl]-2-methyl-propionic acid
CAS No: 886502-77-8 Catalog No: AG01EYF8 MDL No:
Product Description
Catalog Number:
AG01EYF8
Chemical Name:
3-[2-(4-Methoxy-benzyl)-benzoimidazol-1-yl]-2-methyl-propionic acid
CAS Number:
886502-77-8
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-2-methylpropanoic acid
InChI:
InChI=1S/C19H20N2O3/c1-13(19(22)23)12-21-17-6-4-3-5-16(17)20-18(21)11-14-7-9-15(24-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,23)
InChI Key:
KTDFMXMQBJVZIO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1nc2c(n1CC(C(=O)O)C)cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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