4-Bromo-6-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazol-2-one - CAS 683240-52-0
Catalog: |
BB055389 |
Product Name: |
4-Bromo-6-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazol-2-one |
CAS: |
683240-52-0 |
Synonyms: |
4-bromo-6-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one; 4-Bromo-6-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazol-2-one; 4-Bromo-6-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one; 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one; 2H-Benzimidazol-2-one, 4-bromo-1,3-dihydro-6-(trifluoromethyl)- |
IUPAC Name: | 4-bromo-6-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-one |
Description: | 4-Bromo-6-(trifluoromethyl)-1,3-dihydro-1,3-benzodiazol-2-one can be useful in the preparation of [(pyridyl)piperazinyl]benzimidazoles and analogs as potent, orally available antagonists of the transient receptor potential vanilloid 1 and analgesics. |
Molecular Weight: | 281.03 |
Molecular Formula: | C8H4BrF3N2O |
Canonical SMILES: | C1=C(C=C(C2=C1NC(=O)N2)Br)C(F)(F)F |
InChI: | InChI=1S/C8H4BrF3N2O/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15) |
InChI Key: | MWJMZNFWRMPROD-UHFFFAOYSA-N |
References: | Ognyanov, Vassil I., et al. J. Med. Chem., 49, 3719 (2006). |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.94591 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.94591 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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