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Home > Imidazoles > 88933-90-8
88933-90-8 | 1H-Imidazole-4-carboxamide, 5-methyl-N-[(4-methylphenyl)methyl]-
CAS No: 88933-90-8 Catalog No: AG0048UN MDL No:
Product Description
Catalog Number:
AG0048UN
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-N-[(4-methylphenyl)methyl]-
CAS Number:
88933-90-8
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
5-methyl-N-[(4-methylphenyl)methyl]-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)7-14-13(17)12-10(2)15-8-16-12/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChI Key:
ZVKUVDNHNOCFFK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNC(=O)c1nc[nH]c1C
Properties
Complexity:
261
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:
2
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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