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88933-92-0 | 1H-Imidazole-4-carboxamide, N-(4-methoxyphenyl)-5-methyl-
CAS No: 88933-92-0 Catalog No: AG00480D MDL No:
Product Description
Catalog Number:
AG00480D
Chemical Name:
1H-Imidazole-4-carboxamide, N-(4-methoxyphenyl)-5-methyl-
CAS Number:
88933-92-0
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C12H13N3O2/c1-8-11(14-7-13-8)12(16)15-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
LKTDUSFKPSQJQY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1nc[nH]c1C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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