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149047-32-5 | N-[(4-methylphenyl)methyl]-1H-imidazole-1-carboxamide
CAS No: 149047-32-5 Catalog No: AG019L50 MDL No:MFCD09863312
Product Description
Catalog Number:
AG019L50
Chemical Name:
N-[(4-methylphenyl)methyl]-1H-imidazole-1-carboxamide
CAS Number:
149047-32-5
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD09863312
IUPAC Name:
N-[(4-methylphenyl)methyl]imidazole-1-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-10-2-4-11(5-3-10)8-14-12(16)15-7-6-13-9-15/h2-7,9H,8H2,1H3,(H,14,16)
InChI Key:
WFPHUYDNNMWMHL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNC(=O)n1cncc1
Properties
Complexity:
236
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:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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