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Home > Imidazoles > 89442-50-2
89442-50-2 | 1H-Imidazole, 1-[2-methyl-1-[(4-methylphenyl)thio]-2-phenylpropyl]-
CAS No: 89442-50-2 Catalog No: AG0088HB MDL No:
Product Description
Catalog Number:
AG0088HB
Chemical Name:
1H-Imidazole, 1-[2-methyl-1-[(4-methylphenyl)thio]-2-phenylpropyl]-
CAS Number:
89442-50-2
Molecular Formula:
C20H22N2S
Molecular Weight:
322.4671
IUPAC Name:
1-[2-methyl-1-(4-methylphenyl)sulfanyl-2-phenylpropyl]imidazole
InChI:
InChI=1S/C20H22N2S/c1-16-9-11-18(12-10-16)23-19(22-14-13-21-15-22)20(2,3)17-7-5-4-6-8-17/h4-15,19H,1-3H3
InChI Key:
UWUIVYFJHLUXDS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC(C(c1ccccc1)(C)C)n1cncc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.47g/mol
Monoisotopic Mass:
322.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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