Methyl 2-Amino-1H-benzoimidazole-4-carboxylate - CAS 910122-42-8
Catalog: |
BB040020 |
Product Name: |
Methyl 2-Amino-1H-benzoimidazole-4-carboxylate |
CAS: |
910122-42-8 |
Synonyms: |
2-amino-1H-benzimidazole-4-carboxylic acid methyl ester; methyl 2-amino-1H-benzimidazole-4-carboxylate |
IUPAC Name: | methyl 2-amino-1H-benzimidazole-4-carboxylate |
Description: | Methyl 2-Amino-1H-benzoimidazole-4-carboxylate (CAS# 910122-42-8) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)NC(=N2)N |
InChI: | InChI=1S/C9H9N3O2/c1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6/h2-4H,1H3,(H3,10,11,12) |
InChI Key: | SAWDEISHFZINBK-UHFFFAOYSA-N |
LogP: | 0.86180 |
Publication Number | Title | Priority Date |
CA-2948436-A1 | Novel compounds useful as s100-inhibitors | 20140523 |
EA-030604-B1 | COMPOUNDS APPLICABLE AS S100 INHIBITORS | 20140523 |
EP-2991990-B1 | Novel compounds useful as s100-inhibitors | 20140523 |
JP-2017516772-A | Novel compounds useful as S100 inhibitors | 20140523 |
JP-6580074-B2 | Novel compounds useful as S100 inhibitors | 20140523 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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