5-Methoxybenzimidazole - CAS 4887-80-3
Catalog: |
BB026606 |
Product Name: |
5-Methoxybenzimidazole |
CAS: |
4887-80-3 |
Synonyms: |
6-methoxy-1H-benzimidazole; 6-methoxy-1H-benzimidazole |
IUPAC Name: | 6-methoxy-1H-benzimidazole |
Description: | 6-Methoxy-1H-benzimidazole has been studied for its anti-proliferative activity, and a preliminary in vivo toxicity study against a panel of non-small cell lung cancer cell lines. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | COC1=CC2=C(C=C1)N=CN2 |
InChI: | InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10) |
InChI Key: | ILMHAGCURJPNRZ-UHFFFAOYSA-N |
Boiling Point: | 390.2 °C at 760 mmHg |
Density: | 1.244 g/cm3 |
MDL: | MFCD00272526 |
LogP: | 1.57150 |
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 |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
WO-2021050556-A1 | Compositions and methods for inhibiting ribosome inactivating proteins | 20190909 |
US-10751333-B1 | Compositions and kits for omeprazole suspension | 20190716 |
US-2021069167-A1 | Compositions and kits for omeprazole suspension | 20190716 |
WO-2020210649-A1 | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
PMID | Publication Date | Title | Journal |
26246619 | 20150825 | Anaerobic biosynthesis of the lower ligand of vitamin B12 | Proceedings of the National Academy of Sciences of the United States of America |
11441022 | 20011005 | Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica | The Journal of biological chemistry |
4337902 | 19720601 | Bisbenzimidazoles. Potent inhibitors of rhinoviruses | Journal of medicinal chemistry |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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