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77049-30-0 | 1H-Imidazole-4-carboxamide, 5-methyl-N,2-diphenyl-
CAS No: 77049-30-0 Catalog No: AG005EO8 MDL No:
Product Description
Catalog Number:
AG005EO8
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-N,2-diphenyl-
CAS Number:
77049-30-0
Molecular Formula:
C17H15N3O
Molecular Weight:
277.3205
IUPAC Name:
5-methyl-N,2-diphenyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C17H15N3O/c1-12-15(17(21)19-14-10-6-3-7-11-14)20-16(18-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,20)(H,19,21)
InChI Key:
YIBNJUPHRRPTTG-UHFFFAOYSA-N
SMILES:
O=C(c1nc([nH]c1C)c1ccccc1)Nc1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.327g/mol
Monoisotopic Mass:
277.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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