5-Methylbenzimidazol-2(3H)-one - CAS 5400-75-9
Catalog: |
BB028452 |
Product Name: |
5-Methylbenzimidazol-2(3H)-one |
CAS: |
5400-75-9 |
Synonyms: |
5-methyl-1,3-dihydrobenzimidazol-2-one; 5-methyl-1,3-dihydrobenzimidazol-2-one |
IUPAC Name: | 5-methyl-1,3-dihydrobenzimidazol-2-one |
Description: | 5-Methylbenzimidazol-2(3H)-one (CAS# 5400-75-9) is used in the preparation and structure activity relations of benzimidazolone as activators of chloride secretion and design of potential therapeutics for cystic fibrosis and chronic obstructive pulmonary disease. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | CC1=CC2=C(C=C1)NC(=O)N2 |
InChI: | InChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11) |
InChI Key: | CTCHXZUMFHNSHM-UHFFFAOYSA-N |
Boiling Point: | 147.7 °C at 760 mmHg |
Density: | 1.201 g/cm3 |
MDL: | MFCD00754728 |
LogP: | 1.16460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021121261-A1 | Compound for inhibiting and inducing degradation of egfr kinase | 20191216 |
WO-2021110076-A1 | Oxamide derivatives, preparation method therefor and use thereof in medicine | 20191204 |
WO-2021101854-A1 | Compounds and methods of preparing compounds s1p1 modulators | 20191119 |
WO-2021076448-A1 | Somatostatin modulators for treating pituitary adenomas | 20191014 |
WO-2021036922-A1 | Compound inhibiting and inducing degradation of egfr and alk | 20190823 |
Complexity: | 181 |
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: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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