(E)-5-[(3-Indolyl)methylene]-2-imino-1,3-dimethyl-4-imidazolidinone - CAS 63153-56-0
Catalog: |
BB032031 |
Product Name: |
(E)-5-[(3-Indolyl)methylene]-2-imino-1,3-dimethyl-4-imidazolidinone |
CAS: |
63153-56-0 |
Synonyms: |
2-imino-5-(3-indolylidenemethyl)-1,3-dimethyl-4-imidazolol; 2-imino-5-(indol-3-ylidenemethyl)-1,3-dimethylimidazol-4-ol |
IUPAC Name: | 2-imino-5-(indol-3-ylidenemethyl)-1,3-dimethylimidazol-4-ol |
Description: | (E)-5-[(3-Indolyl)methylene]-2-imino-1,3-dimethyl-4-imidazolidinone (CAS# 63153-56-0 ) is a useful research chemical. |
Molecular Weight: | 254.29 |
Molecular Formula: | C14H14N4O |
Canonical SMILES: | CN1C(=C(N(C1=N)C)O)C=C2C=NC3=CC=CC=C32 |
InChI: | InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15,19H,1-2H3 |
InChI Key: | CYKDGQFRORUDQP-UHFFFAOYSA-N |
LogP: | 1.82290 |
Publication Number | Title | Priority Date |
US-2010081678-A1 | Indole compounds and their use as radiation sensitizing agents and chemotherapeutic agents | 20080930 |
US-8304421-B2 | Indole compounds and their use as radiation sensitizing agents and chemotherapeutic agents | 20080930 |
AU-2008310883-A1 | Method to use compositions having antidepressant anxiolytic and other neurological activity and compositions of matter | 20071009 |
EP-2209380-A1 | Method to use compositions having antidepressant anxiolytic and other neurological activity and compositions of matter | 20071009 |
US-2009093513-A1 | Method to Use Compositions Having Antidepressant Anxiolytic and Other Neurological Activity and Compositions of Matter | 20071009 |
PMID | Publication Date | Title | Journal |
22781190 | 20120801 | Synthesis and evaluation of aplysinopsin analogs as inhibitors of human monoamine oxidase A and B | Bioorganic & medicinal chemistry letters |
21295476 | 20110301 | Synthesis and in vitro screening of novel N-benzyl aplysinopsin analogs as potential anticancer agents | Bioorganic & medicinal chemistry letters |
21534931 | 20110301 | Chemical and pharmacological significance of natural guanidines from marine invertebrates | Mini reviews in medicinal chemistry |
20570529 | 20100701 | Synthesis and structure-affinity relationships of novel small molecule natural product derivatives capable of discriminating between serotonin 5-HT1A, 5-HT2A, 5-HT2C receptor subtypes | Bioorganic & medicinal chemistry |
20403701 | 20100515 | Aplysinopsin analogs: Synthesis and anti-proliferative activity of substituted (Z)-5-(N-benzylindol-3-ylmethylene)imidazolidine-2,4-diones | Bioorganic & medicinal chemistry |
Complexity: | 506 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.11676108 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.11676108 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 0.7 |
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