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Home > Imidazoles > 77049-29-7
77049-29-7 | 1H-Imidazole-4-carboxamide, 2,5-dimethyl-N-phenyl-
CAS No: 77049-29-7 Catalog No: AG008O6X MDL No:
Product Description
Catalog Number:
AG008O6X
Chemical Name:
1H-Imidazole-4-carboxamide, 2,5-dimethyl-N-phenyl-
CAS Number:
77049-29-7
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
2,5-dimethyl-N-phenyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-8-11(14-9(2)13-8)12(16)15-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
BUBZJDHJOIEQHP-UHFFFAOYSA-N
SMILES:
O=C(c1nc([nH]c1C)C)Nc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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