2-Phenylbenzimidazole - CAS 716-79-0
Catalog: |
BB034449 |
Product Name: |
2-Phenylbenzimidazole |
CAS: |
716-79-0 |
Synonyms: |
2-phenyl-1H-benzimidazole; 2-phenyl-1H-benzimidazole |
IUPAC Name: | 2-phenyl-1H-benzimidazole |
Description: | 2-Phenylbenzimidazole (CAS# 716-79-0) is a reagent used in the synthesis of various aryl-substituted benzimidazole derivatives. Also used in the synthesis of benzimidazole and quinocaline derivatives. |
Molecular Weight: | 194.23 |
Molecular Formula: | C13H10N2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 |
InChI: | InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15) |
InChI Key: | DWYHDSLIWMUSOO-UHFFFAOYSA-N |
Boiling Point: | 422 °C |
Density: | 1.211 g/cm3 |
Solubility: | 21.9 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00005592 |
LogP: | 3.22990 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22695128 | 20120715 | Conformation study of 2-arylbenzimidazoles as inhibitors of Chlamydia pneumoniae growth | Bioorganic & medicinal chemistry letters |
22259357 | 20120101 | catena-Poly[zinc-tris-(μ-dimethyl-carbamato-κO:O')-zinc-μ-(2-phenyl-benzimidazolido-κN:N'] | Acta crystallographica. Section E, Structure reports online |
22448340 | 20120101 | Effects of iron concentration level in extracting solutions from contaminated soils on the determination of zinc by flame atomic absorption spectrometry with two background correctors | Journal of analytical methods in chemistry |
23047683 | 20120101 | Identifying the preferred RNA motifs and chemotypes that interact by probing millions of combinations | Nature communications |
21492779 | 20110401 | Radioiodinated benzimidazole derivatives as single photon emission computed tomography probes for imaging of β-amyloid plaques in Alzheimer's disease | Nuclear medicine and biology |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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