2-[2-(1H-Imidazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione - CAS 88883-77-6
Catalog: |
BB060723 |
Product Name: |
2-[2-(1H-Imidazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione |
CAS: |
88883-77-6 |
Synonyms: |
NSC 602336 |
IUPAC Name: | 2-[2-(1H-imidazol-2-yl)ethyl]isoindole-1,3-dione |
Description: | 2-[2-(1H-Imidazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione is a useful intermediate for organic synthesis and other chemical processes. |
Molecular Weight: | 241.25 |
Molecular Formula: | C13H11N3O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC=CN3 |
InChI: | InChI=1S/C13H11N3O2/c17-12-9-3-1-2-4-10(9)13(18)16(12)8-5-11-14-6-7-15-11/h1-4,6-7H,5,8H2,(H,14,15) |
InChI Key: | UACMVISDTWGEFG-UHFFFAOYSA-N |
References: | Borisov, O. V., et al. Zh. Org. Farm. Khim., 11, 66 (2013); Sorrell, T. N., et al. Inorganica Chim. Acta, 218, 103 (1994). |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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