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Home > Imidazoles > 120118-99-2
120118-99-2 | 4-(2-thienyl)-1H-imidazole
CAS No: 120118-99-2 Catalog No: AG00J25X MDL No:MFCD12827502
Product Description
Catalog Number:
AG00J25X
Chemical Name:
4-(2-thienyl)-1H-imidazole
CAS Number:
120118-99-2
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD12827502
IUPAC Name:
5-thiophen-2-yl-1H-imidazole
InChI:
InChI=1S/C7H6N2S/c1-2-7(10-3-1)6-4-8-5-9-6/h1-5H,(H,8,9)
InChI Key:
OQEOPQIPVXGRAT-UHFFFAOYSA-N
SMILES:
c1csc(c1)c1c[nH]cn1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies. | European journal of medicinal chemistry 20100901 |
| Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase. | Journal of medicinal chemistry 20080828 |
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