5-Amino-6-methoxy-1,3-dihydro-2H-benzimidazol-2-one - CAS 65740-56-9
Catalog: |
BB074721 |
Product Name: |
5-Amino-6-methoxy-1,3-dihydro-2H-benzimidazol-2-one |
CAS: |
65740-56-9 |
Synonyms: |
5-amino-6-methoxy-1,3-dihydro-2H-benzimidazol-2-one; 5-amino-6-methoxy-1,3-dihydrobenzimidazol-2-one; 5-Amino-6-methoxy-1,3-dihydro-benzoimidazol-2-one; 5-Amino-6-methoxy-1H-benzo[d]imidazol-2(3H)-one; 5-amino-6-methoxy-2,3-dihydro-1H-1,3-benzodiazol-2-one |
IUPAC Name: | 5-amino-6-methoxy-1,3-dihydrobenzimidazol-2-one |
Molecular Weight: | 179.17 |
Molecular Formula: | C8H9N3O2 |
Canonical SMILES: | COC1=CC2=C(C=C1N)NC(=O)N2 |
InChI: | InChI=1S/C8H9N3O2/c1-13-7-3-6-5(2-4(7)9)10-8(12)11-6/h2-3H,9H2,1H3,(H2,10,11,12) |
InChI Key: | KIZFSHBBEAAUOZ-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.069476538 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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