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Home > Imidazoles > 1955531-02-8
1955531-02-8 | 2-(2H-1,3-benzodioxol-4-yl)-1H-imidazole
CAS No: 1955531-02-8 Catalog No: AG01B27M MDL No:MFCD29991568
Product Description
Catalog Number:
AG01B27M
Chemical Name:
2-(2H-1,3-benzodioxol-4-yl)-1H-imidazole
CAS Number:
1955531-02-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD29991568
IUPAC Name:
2-(1,3-benzodioxol-4-yl)-1H-imidazole
InChI:
InChI=1S/C10H8N2O2/c1-2-7(10-11-4-5-12-10)9-8(3-1)13-6-14-9/h1-5H,6H2,(H,11,12)
InChI Key:
IXVLHFCWEZXEBA-UHFFFAOYSA-N
SMILES:
c1cnc([nH]1)c1cccc2c1OCO2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and CYP26A1 inhibitory activity of novel methyl 3-[4-(arylamino)phenyl]-3-(azole)-2,2-dimethylpropanoates. | Bioorganic & medicinal chemistry 20121015 |
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