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382628-10-6 | 4-(1,3-diphenylimidazolidin-2-yl)benzoic acid
CAS No: 382628-10-6 Catalog No: AG00JC7S MDL No:MFCD00368722
Product Description
Catalog Number:
AG00JC7S
Chemical Name:
4-(1,3-diphenylimidazolidin-2-yl)benzoic acid
CAS Number:
382628-10-6
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
MDL Number:
MFCD00368722
IUPAC Name:
4-(1,3-diphenylimidazolidin-2-yl)benzoic acid
InChI:
InChI=1S/C22H20N2O2/c25-22(26)18-13-11-17(12-14-18)21-23(19-7-3-1-4-8-19)15-16-24(21)20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,25,26)
InChI Key:
IJASPRKMUUQAKN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1N(CCN1c1ccccc1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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