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Home > Imidazoles > 677343-14-5
677343-14-5 | 1H-Imidazole, 4,5-dihydro-2-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
CAS No: 677343-14-5 Catalog No: AG0063N5 MDL No:
Product Description
Catalog Number:
AG0063N5
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-
CAS Number:
677343-14-5
Molecular Formula:
C17H18N2OS
Molecular Weight:
298.4026
IUPAC Name:
2-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C17H18N2OS/c1-20-14-4-8-16(9-5-14)21-15-6-2-13(3-7-15)12-17-18-10-11-19-17/h2-9H,10-12H2,1H3,(H,18,19)
InChI Key:
RYRUEQXYBTUZSX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1)CC1=NCCN1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.404g/mol
Monoisotopic Mass:
298.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Discovery and SAR development of 2-(phenylamino) imidazolines as prostacyclin receptor antagonists [corrected]. | Bioorganic & medicinal chemistry letters 20040223 |
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