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Home > Imidazoles > 651748-53-7
651748-53-7 | Benzoic acid, 3-[2,4-dioxo-3-(4-phenoxyphenyl)-1-imidazolidinyl]-
CAS No: 651748-53-7 Catalog No: AG00H7R3 MDL No:
Product Description
Catalog Number:
AG00H7R3
Chemical Name:
Benzoic acid, 3-[2,4-dioxo-3-(4-phenoxyphenyl)-1-imidazolidinyl]-
CAS Number:
651748-53-7
Molecular Formula:
C22H16N2O5
Molecular Weight:
388.3728
IUPAC Name:
3-[2,4-dioxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzoic acid
InChI:
InChI=1S/C22H16N2O5/c25-20-14-23(17-6-4-5-15(13-17)21(26)27)22(28)24(20)16-9-11-19(12-10-16)29-18-7-2-1-3-8-18/h1-13H,14H2,(H,26,27)
InChI Key:
JENSBTAOPFWZPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1CC(=O)N(C1=O)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.106g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.379g/mol
Monoisotopic Mass:
388.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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