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Home > Imidazoles > 2562-69-8
2562-69-8 | 2-(1,3-benzodioxol-5-yl)-1h-benzimidazole
CAS No: 2562-69-8 Catalog No: AG007MH0 MDL No:
Product Description
Catalog Number:
AG007MH0
Chemical Name:
2-(1,3-benzodioxol-5-yl)-1h-benzimidazole
CAS Number:
2562-69-8
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1H-benzimidazole
InChI:
InChI=1S/C14H10N2O2/c1-2-4-11-10(3-1)15-14(16-11)9-5-6-12-13(7-9)18-8-17-12/h1-7H,8H2,(H,15,16)
InChI Key:
GRTZXYPGMLGOPL-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)cc(cc2)c1nc2c([nH]1)cccc2
NSC Number:
52087
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Design, microwave-assisted synthesis, and spasmolytic activity of 2-(alkyloxyaryl)-1H-benzimidazole derivatives as constrained stilbene bioisosteres. | Bioorganic & medicinal chemistry letters 20060815 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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