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88934-23-0 | 1H-Imidazole-4-carboxamide, N-(3-methoxy-4-methylphenyl)-5-methyl-
CAS No: 88934-23-0 Catalog No: AG004809 MDL No:
Product Description
Catalog Number:
AG004809
Chemical Name:
1H-Imidazole-4-carboxamide, N-(3-methoxy-4-methylphenyl)-5-methyl-
CAS Number:
88934-23-0
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
N-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C13H15N3O2/c1-8-4-5-10(6-11(8)18-3)16-13(17)12-9(2)14-7-15-12/h4-7H,1-3H3,(H,14,15)(H,16,17)
InChI Key:
KIAIOHYAJJRTRS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C)NC(=O)c1nc[nH]c1C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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