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120319-05-3

120319-05-3 | 1H-Imidazole-4-carboxamide,N,2,5-trimethyl-1-phenyl-

CAS No: 120319-05-3 Catalog No: AG0076P0 MDL No:

Product Description

Catalog Number:
AG0076P0
Chemical Name:
1H-Imidazole-4-carboxamide,N,2,5-trimethyl-1-phenyl-
CAS Number:
120319-05-3
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
N,2,5-trimethyl-1-phenylimidazole-4-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-9-12(13(17)14-3)15-10(2)16(9)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChI Key:
FMJJAPRHYRBZHM-UHFFFAOYSA-N
SMILES:
CNC(=O)c1nc(n(c1C)c1ccccc1)C

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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