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Home > Imidazoles > 88933-98-6
88933-98-6 | 1H-Imidazole-4-carboxamide, 5-methyl-N-(3-propylphenyl)-
CAS No: 88933-98-6 Catalog No: AG008A14 MDL No:
Product Description
Catalog Number:
AG008A14
Chemical Name:
1H-Imidazole-4-carboxamide, 5-methyl-N-(3-propylphenyl)-
CAS Number:
88933-98-6
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
IUPAC Name:
5-methyl-N-(3-propylphenyl)-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C14H17N3O/c1-3-5-11-6-4-7-12(8-11)17-14(18)13-10(2)15-9-16-13/h4,6-9H,3,5H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
AJDNIUBNMUFTSE-UHFFFAOYSA-N
SMILES:
CCCc1cccc(c1)NC(=O)c1nc[nH]c1C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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