2-Oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic Acid - CAS 23814-14-4
Catalog: |
BB018200 |
Product Name: |
2-Oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic Acid |
CAS: |
23814-14-4 |
Synonyms: |
2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid; 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid |
IUPAC Name: | 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid |
Description: | 2-Oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic Acid (CAS# 23814-14-4) is a useful research chemical compound. |
Molecular Weight: | 178.14 |
Molecular Formula: | C8H6N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)NC(=O)N2 |
InChI: | InChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13) |
InChI Key: | YIGYJEWJHOCKSR-UHFFFAOYSA-N |
MDL: | MFCD01233165 |
LogP: | 0.55440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021002986-A2 | Bax inhibitors and uses thereof | 20190531 |
US-2020207764-A1 | Dihydrobenzimidazolones for medical treatment | 20170904 |
WO-2019043217-A1 | DIHYDROBENZIMIDAZOLONES | 20170904 |
EP-3679027-A1 | Dihydrobenzimidazolones | 20170904 |
WO-2018151678-A1 | Compounds for treatment of cancer and epigenetics | 20170215 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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