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Home > Imidazoles > 89372-74-7
89372-74-7 | 1H-Imidazole, 1-[2-[[4-(hexyloxy)phenyl]methyl]-3,3-dimethyl-1-oxobutyl]-
CAS No: 89372-74-7 Catalog No: AG003XBM MDL No:
Product Description
Catalog Number:
AG003XBM
Chemical Name:
1H-Imidazole, 1-[2-[[4-(hexyloxy)phenyl]methyl]-3,3-dimethyl-1-oxobutyl]-
CAS Number:
89372-74-7
Molecular Formula:
C22H32N2O2
Molecular Weight:
356.5017
IUPAC Name:
2-[(4-hexoxyphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C22H32N2O2/c1-5-6-7-8-15-26-19-11-9-18(10-12-19)16-20(22(2,3)4)21(25)24-14-13-23-17-24/h9-14,17,20H,5-8,15-16H2,1-4H3
InChI Key:
NPCGGMQYSSXELL-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.246g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.51g/mol
Monoisotopic Mass:
356.246g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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