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886502-87-0 | 3-(2-Benzyl-benzoimidazol-1-yl)-2-methyl-propionic acid
CAS No: 886502-87-0 Catalog No: AG01EYFC MDL No:
Product Description
Catalog Number:
AG01EYFC
Chemical Name:
3-(2-Benzyl-benzoimidazol-1-yl)-2-methyl-propionic acid
CAS Number:
886502-87-0
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
3-(2-benzylbenzimidazol-1-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C18H18N2O2/c1-13(18(21)22)12-20-16-10-6-5-9-15(16)19-17(20)11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,21,22)
InChI Key:
DAGGIAFUXFHIEQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cn1c(Cc2ccccc2)nc2c1cccc2)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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