Methyl Benzimidazole-5-carboxylate - CAS 26663-77-4
Catalog: |
BB019339 |
Product Name: |
Methyl Benzimidazole-5-carboxylate |
CAS: |
26663-77-4 |
Synonyms: |
3H-benzimidazole-5-carboxylic acid methyl ester; methyl 3H-benzimidazole-5-carboxylate |
IUPAC Name: | methyl 3H-benzimidazole-5-carboxylate |
Description: | An intermediate used for the synthesis of a number of bioisosteric benzimidazoles as inhibitors of human cytosolic phospholipase A2α. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N=CN2 |
InChI: | InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7-8(4-6)11-5-10-7/h2-5H,1H3,(H,10,11) |
InChI Key: | WJHHIVYNOVTVGY-UHFFFAOYSA-N |
Boiling Point: | 416.2 °C at 760 mmHg |
Density: | 1.324 g/cm3 |
MDL: | MFCD03407310 |
LogP: | 1.34950 |
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-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
WO-2021136244-A1 | Tricyclic compound, and preparation method therefor and medical use thereof | 20191230 |
WO-2020254603-A1 | CONJUGATES OF π-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | 20190621 |
CN-112010855-A | Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof | 20190528 |
CN-112010929-A | RGD sequence peptide modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof | 20190528 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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