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Home > Imidazoles > 116223-93-9
116223-93-9 | 1H-Imidazole-2-carboxamide, 4,5-bis(4-methoxyphenyl)-N-phenyl-
CAS No: 116223-93-9 Catalog No: AG000BZG MDL No:
Product Description
Catalog Number:
AG000BZG
Chemical Name:
1H-Imidazole-2-carboxamide, 4,5-bis(4-methoxyphenyl)-N-phenyl-
CAS Number:
116223-93-9
Molecular Formula:
C24H21N3O3
Molecular Weight:
399.4418
IUPAC Name:
4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
InChI:
InChI=1S/C24H21N3O3/c1-29-19-12-8-16(9-13-19)21-22(17-10-14-20(30-2)15-11-17)27-23(26-21)24(28)25-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChI Key:
SPCXRWJVRXXXHS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)C(=O)Nc1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.45g/mol
Monoisotopic Mass:
399.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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