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Home > Imidazoles > 108418-73-1
108418-73-1 | 1H-Imidazole-4-carboxamide, 5-methyl-1-(phenylmethyl)-
CAS No: 108418-73-1 Catalog No: AG007URX MDL No:
Product Description
Catalog Number:
AG007URX
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-1-(phenylmethyl)-
CAS Number:
108418-73-1
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
1-benzyl-5-methylimidazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-9-11(12(13)16)14-8-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,13,16)
InChI Key:
YCSNDXHOEQSSPE-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncn(c1C)Cc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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