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Home > Imidazoles > 651749-00-7
651749-00-7 | Benzoic acid, 3-[2-oxo-3-[4-(1-piperidinyl)phenyl]-1-imidazolidinyl]-
CAS No: 651749-00-7 Catalog No: AG00H7QY MDL No:
Product Description
Catalog Number:
AG00H7QY
Chemical Name:
Benzoic acid, 3-[2-oxo-3-[4-(1-piperidinyl)phenyl]-1-imidazolidinyl]-
CAS Number:
651749-00-7
Molecular Formula:
C21H23N3O3
Molecular Weight:
365.4256
IUPAC Name:
3-[2-oxo-3-(4-piperidin-1-ylphenyl)imidazolidin-1-yl]benzoic acid
InChI:
InChI=1S/C21H23N3O3/c25-20(26)16-5-4-6-19(15-16)24-14-13-23(21(24)27)18-9-7-17(8-10-18)22-11-2-1-3-12-22/h4-10,15H,1-3,11-14H2,(H,25,26)
InChI Key:
MFPRVDJOQSBVDD-UHFFFAOYSA-N
SMILES:
O=C1N(CCN1c1cccc(c1)C(=O)O)c1ccc(cc1)N1CCCCC1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.174g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.433g/mol
Monoisotopic Mass:
365.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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