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Home > Imidazoles > 677343-16-7
677343-16-7 | 1H-Imidazole, 4,5-dihydro-2-[4-[(4-methoxyphenyl)thio]phenyl]-
CAS No: 677343-16-7 Catalog No: AG0063N4 MDL No:
Product Description
Catalog Number:
AG0063N4
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-[4-[(4-methoxyphenyl)thio]phenyl]-
CAS Number:
677343-16-7
Molecular Formula:
C16H16N2OS
Molecular Weight:
284.3760
IUPAC Name:
2-[4-(4-methoxyphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C16H16N2OS/c1-19-13-4-8-15(9-5-13)20-14-6-2-12(3-7-14)16-17-10-11-18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChI Key:
UENJDYCHPVSUDK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1)C1=NCCN1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.377g/mol
Monoisotopic Mass:
284.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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