5-Amino-1,3-dimethylbenzimidazol-2-one - CAS 53439-88-6
Catalog: |
BB028216 |
Product Name: |
5-Amino-1,3-dimethylbenzimidazol-2-one |
CAS: |
53439-88-6 |
Synonyms: |
5-amino-1,3-dimethyl-2-benzimidazolone; 5-amino-1,3-dimethylbenzimidazol-2-one |
IUPAC Name: | 5-amino-1,3-dimethylbenzimidazol-2-one |
Description: | 5-Amino-1,3-dimethylbenzimidazol-2-one (CAS# 53439-88-6) is a useful research chemical. |
Molecular Weight: | 177.20 |
Molecular Formula: | C9H11N3O |
Canonical SMILES: | CN1C2=C(C=C(C=C2)N)N(C1=O)C |
InChI: | InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3 |
InChI Key: | JHKRQZQRGCCWOO-UHFFFAOYSA-N |
LogP: | 1.04040 |
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 |
EP-3901139-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
US-2020207764-A1 | Dihydrobenzimidazolones for medical treatment | 20170904 |
US-2021147382-A1 | Benzimidazolone derived inhibitors of bcl6 | 20170526 |
EP-3328843-A1 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
JP-2018526343-A | 1,3,4-oxadiazolesulfonamide derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same | 20150727 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.090211983 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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