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Home > Imidazoles > 77049-31-1
77049-31-1 | 1H-Imidazole-4-carboxamide, 2-(4-methoxyphenyl)-5-methyl-N-phenyl-
CAS No: 77049-31-1 Catalog No: AG005EO7 MDL No:
Product Description
Catalog Number:
AG005EO7
Chemical Name:
1H-Imidazole-4-carboxamide, 2-(4-methoxyphenyl)-5-methyl-N-phenyl-
CAS Number:
77049-31-1
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
IUPAC Name:
2-(4-methoxyphenyl)-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C18H17N3O2/c1-12-16(18(22)20-14-6-4-3-5-7-14)21-17(19-12)13-8-10-15(23-2)11-9-13/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChI Key:
VTLLCPBONGUEKR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(c([nH]1)C)C(=O)Nc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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