2-Methyl-1-(4-nitrobenzyl)imidazole - CAS 56643-86-8
Catalog: |
BB029446 |
Product Name: |
2-Methyl-1-(4-nitrobenzyl)imidazole |
CAS: |
56643-86-8 |
Synonyms: |
2-methyl-1-[(4-nitrophenyl)methyl]imidazole; 2-methyl-1-[(4-nitrophenyl)methyl]imidazole |
IUPAC Name: | 2-methyl-1-[(4-nitrophenyl)methyl]imidazole |
Description: | 2-Methyl-1-(4-nitrobenzyl)imidazole (CAS# 56643-86-8) is a useful research chemical compound. |
Molecular Weight: | 217.22 |
Molecular Formula: | C11H11N3O2 |
Canonical SMILES: | CC1=NC=CN1CC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H11N3O2/c1-9-12-6-7-13(9)8-10-2-4-11(5-3-10)14(15)16/h2-7H,8H2,1H3 |
InChI Key: | KBZYPLFJZZWFAW-UHFFFAOYSA-N |
Boiling Point: | 401.9 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
MDL: | MFCD02615309 |
LogP: | 2.67120 |
Publication Number | Title | Priority Date |
AU-729468-B2 | Novel amide derivatives and medicinal compositions thereof | 19970123 |
CA-2272285-C | Amide derivatives and medicinal compositions thereof | 19970123 |
EP-0972769-A1 | Novel amide derivatives and medicinal compositions thereof | 19970123 |
EP-0972769-B1 | Novel amide derivatives and medicinal compositions thereof | 19970123 |
HU-0000934-A2 | 4- {2- [N- (3-Phenoxy-2-hydroxy) -propylamino] -ethyl} -anilide derivatives and pharmaceutical compositions containing them | 19970123 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.085126602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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