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Home > Imidazoles > 89372-41-8
89372-41-8 | 1H-Imidazole, 1-[2-[(4-ethylphenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS No: 89372-41-8 Catalog No: AG003YVD MDL No:
Product Description
Catalog Number:
AG003YVD
Chemical Name:
1H-Imidazole, 1-[2-[(4-ethylphenyl)methyl]-3,3-dimethyl-1-oxobutyl]-
CAS Number:
89372-41-8
Molecular Formula:
C18H24N2O
Molecular Weight:
284.3960
IUPAC Name:
2-[(4-ethylphenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C18H24N2O/c1-5-14-6-8-15(9-7-14)12-16(18(2,3)4)17(21)20-11-10-19-13-20/h6-11,13,16H,5,12H2,1-4H3
InChI Key:
ARWACCOZOYWUQY-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.403g/mol
Monoisotopic Mass:
284.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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