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102594-58-1 | 1H-Imidazole-2-carboxamide, 1-methyl-N,4,5-triphenyl-
CAS No: 102594-58-1 Catalog No: AG0007V2 MDL No:
Product Description
Catalog Number:
AG0007V2
Chemical Name:
1H-Imidazole-2-carboxamide, 1-methyl-N,4,5-triphenyl-
CAS Number:
102594-58-1
Molecular Formula:
C23H19N3O
Molecular Weight:
353.4165
IUPAC Name:
1-methyl-N,4,5-triphenylimidazole-2-carboxamide
InChI:
InChI=1S/C23H19N3O/c1-26-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)25-22(26)23(27)24-19-15-9-4-10-16-19/h2-16H,1H3,(H,24,27)
InChI Key:
CBWPOSCSGNNBSN-UHFFFAOYSA-N
SMILES:
O=C(c1nc(c(n1C)c1ccccc1)c1ccccc1)Nc1ccccc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.425g/mol
Monoisotopic Mass:
353.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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