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88933-89-5 | 1H-Imidazole-4-carboxamide, 5-methyl-N-(4-methylphenyl)-
CAS No: 88933-89-5 Catalog No: AG00480E MDL No:
Product Description
Catalog Number:
AG00480E
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-N-(4-methylphenyl)-
CAS Number:
88933-89-5
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
5-methyl-N-(4-methylphenyl)-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O/c1-8-3-5-10(6-4-8)15-12(16)11-9(2)13-7-14-11/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
MXKNQLNSOOVCII-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1nc[nH]c1C
Properties
Complexity:
249
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:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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