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Home > Imidazoles > 88933-80-6
88933-80-6 | 1H-Imidazole-4-carboxamide, 5-methyl-N-(phenylmethyl)-
CAS No: 88933-80-6 Catalog No: AG0048EX MDL No:
Product Description
Catalog Number:
AG0048EX
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-N-(phenylmethyl)-
CAS Number:
88933-80-6
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-9-11(15-8-14-9)12(16)13-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,16)(H,14,15)
InChI Key:
XCNYDYOEFZZKEX-UHFFFAOYSA-N
SMILES:
O=C(c1nc[nH]c1C)NCc1ccccc1
Properties
Complexity:
238
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:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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