4-Methyl-5-nitrobenzimidazole - CAS 170918-28-2
Catalog: |
BB012684 |
Product Name: |
4-Methyl-5-nitrobenzimidazole |
CAS: |
170918-28-2 |
Synonyms: |
4-methyl-5-nitro-1H-benzimidazole; 4-methyl-5-nitro-1H-benzimidazole |
IUPAC Name: | 4-methyl-5-nitro-1H-benzimidazole |
Description: | 4-Methyl-5-nitrobenzimidazole (CAS# 170918-28-2 ) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CC1=C(C=CC2=C1N=CN2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7N3O2/c1-5-7(11(12)13)3-2-6-8(5)10-4-9-6/h2-4H,1H3,(H,9,10) |
InChI Key: | OUNJNOIRCNXHMH-UHFFFAOYSA-N |
LogP: | 2.30270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
ES-2482167-T3 | Methods for making 6 - [(4,5-dihydro-1h-imidazol-2-yl) amino -] - 7-methyl-1h-benzimidazol-4-carbonitrile and its preferred salt form | 20030220 |
US-6306877-B1 | Guanidinylamino heterocycle compounds useful as alpha-2 adrenoceptor agonists | 19990809 |
CZ-20001912-A3 | 5-(2-imidazolinylamino)-benzimidazole derivatives, process of their preparation and their use as alpha adrenoceptor agonist with enhanced metabolic stability | 19981120 |
CA-2311344-C | 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability | 19971124 |
EP-1037887-A1 | 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability | 19971124 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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