Name: Name:2-(2H-1,3-benzodioxol-4-yl)-1H-imidazole
Brand: Angene
SKU: AG01B27M
Rating: 90 (10 reviews)

2-(2H-1,3-benzodioxol-4-yl)-1H-imidazole

CAS No.:

1955531-02-8

Catalog Number:

AG01B27M

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.1827

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.186g/mol

Monoisotopic Mass:

188.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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