4-(5-Nitrobenzimidazol-2-yl)aniline - CAS 71002-88-5
Catalog: |
BB034285 |
Product Name: |
4-(5-Nitrobenzimidazol-2-yl)aniline |
CAS: |
71002-88-5 |
Synonyms: |
4-(6-nitro-1H-benzimidazol-2-yl)aniline; 4-(6-nitro-1H-benzimidazol-2-yl)aniline |
IUPAC Name: | 4-(6-nitro-1H-benzimidazol-2-yl)aniline |
Description: | 4-(5-Nitrobenzimidazol-2-yl)aniline (CAS# 71002-88-5) is a useful research chemical. |
Molecular Weight: | 254.24 |
Molecular Formula: | C13H10N4O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])N |
InChI: | InChI=1S/C13H10N4O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,14H2,(H,15,16) |
InChI Key: | VQAXRPAGHNBDHU-UHFFFAOYSA-N |
Boiling Point: | 551.3 °C at 760 mmHg |
Density: | 1.456 g/cm3 |
LogP: | 3.82470 |
Publication Number | Title | Priority Date |
WO-2017039318-A1 | Benzimidazole derivatives for dna methylation inhibitors | 20150901 |
WO-2012087976-A2 | Novel inhibitors of hepatitis c virus replication | 20101221 |
US-2012083483-A1 | Inhibitors of hepatitis c virus replication | 20090327 |
US-2014371138-A1 | Inhibitors of hepatitis c virus replication | 20090327 |
US-2015246917-A1 | Inhibitors of hepatitis c virus replication | 20090327 |
PMID | Publication Date | Title | Journal |
20359898 | 20100415 | Antiviral activity of benzimidazole derivatives. II. Antiviral activity of 2-phenylbenzimidazole derivatives | Bioorganic & medicinal chemistry |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.08037557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Amines and Anilines
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