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Home > Imidazoles > 130804-18-1
130804-18-1 | Pentanoic acid, 5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-
CAS No: 130804-18-1 Catalog No: AG000UYM MDL No:
Product Description
Catalog Number:
AG000UYM
Chemical Name:
Pentanoic acid, 5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-
CAS Number:
130804-18-1
Molecular Formula:
C20H20N2O2S
Molecular Weight:
352.4500
IUPAC Name:
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentanoic acid
InChI:
InChI=1S/C20H20N2O2S/c23-17(24)13-7-8-14-25-20-21-18(15-9-3-1-4-10-15)19(22-20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,21,22)(H,23,24)
InChI Key:
BMGKCVLGODMNGI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCSc1nc(c([nH]1)c1ccccc1)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.452g/mol
Monoisotopic Mass:
352.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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