5-Nitro-1H-benzimidazole-2-methanol - CAS 20034-00-8
Catalog: |
BB015467 |
Product Name: |
5-Nitro-1H-benzimidazole-2-methanol |
CAS: |
20034-00-8 |
Synonyms: |
(6-nitro-1H-benzimidazol-2-yl)methanol; (6-nitro-1H-benzimidazol-2-yl)methanol |
IUPAC Name: | (6-nitro-1H-benzimidazol-2-yl)methanol |
Description: | 5-Nitro-1H-benzimidazole-2-methanol (CAS# 20034-00-8) is a useful research chemical. |
Molecular Weight: | 193.16 |
Molecular Formula: | C8H7N3O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CO |
InChI: | InChI=1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10) |
InChI Key: | ZJLPIDVKNQXTKN-UHFFFAOYSA-N |
MDL: | MFCD00462582 |
LogP: | 1.48660 |
Publication Number | Title | Priority Date |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
CN-105315262-A | Benzpyrole-3-carboxylic acid benzimidazole-2-methyl ester derivative and synthetic method thereof | 20151128 |
EP-3328856-A2 | Antibacterial therapeutics and prophylactics | 20150728 |
JP-2018528260-A | Antibacterial therapeutics and preventives | 20150728 |
JP-2020050676-A | Antibacterial therapeutic and prophylactic agents | 20150728 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.04874109 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 94.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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