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Home > Imidazoles > 89372-50-9
89372-50-9 | 1H-Imidazole, 1-[2-[(4-butoxyphenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS No: 89372-50-9 Catalog No: AG003X43 MDL No:
Product Description
Catalog Number:
AG003X43
Chemical Name:
1H-Imidazole, 1-[2-[(4-butoxyphenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS Number:
89372-50-9
Molecular Formula:
C20H28N2O2
Molecular Weight:
328.4485
IUPAC Name:
2-[(4-butoxyphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C20H28N2O2/c1-5-6-13-24-17-9-7-16(8-10-17)14-18(20(2,3)4)19(23)22-12-11-21-15-22/h7-12,15,18H,5-6,13-14H2,1-4H3
InChI Key:
XQVJCYVPCAYRRW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.215g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.456g/mol
Monoisotopic Mass:
328.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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