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Home > Imidazoles > 75849-94-4
75849-94-4 | 1H-Imidazole, 2-(cyclopentylthio)-4,5-bis(4-methoxyphenyl)-
CAS No: 75849-94-4 Catalog No: AG005I3E MDL No:
Product Description
Catalog Number:
AG005I3E
Chemical Name:
1H-Imidazole, 2-(cyclopentylthio)-4,5-bis(4-methoxyphenyl)-
CAS Number:
75849-94-4
Molecular Formula:
C22H24N2O2S
Molecular Weight:
380.5032
IUPAC Name:
2-cyclopentylsulfanyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
InChI:
InChI=1S/C22H24N2O2S/c1-25-17-11-7-15(8-12-17)20-21(16-9-13-18(26-2)14-10-16)24-22(23-20)27-19-5-3-4-6-19/h7-14,19H,3-6H2,1-2H3,(H,23,24)
InChI Key:
AIFAELOBJYRXRM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)SC1CCCC1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.156g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.506g/mol
Monoisotopic Mass:
380.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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