4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile

C157H116FN35O32 — CID 160585296

About 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile

4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile (PubChem CID 160585296) has the molecular formula C157H116FN35O32 and a molecular weight of 3023.87 g/mol. Its IUPAC name is 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile.

Molecular Properties

• Compound Name: 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile
• PubChem CID: 160585296
• Molecular Formula: C157H116FN35O32
• Molecular Weight: 3023.87 g/mol
• Exact Mass: 3021.85
• IUPAC Name: 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile
• SMILES: CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.CN(C)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1.Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)o1.N#CCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21.N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1.O=[N+]([O-])c1ccc2nc(-c3ccc(-c4ccccc4)o3)n(O)c2c1.On1c(-c2ccccc2)nc2ccccc21
• InChI: InChI=1S/C22H17N5O5.C22H19N5O4.C21H13N5O4.C20H13FN4O4.C17H11N3O4.C15H14N4O3.C15H10N4O3.C13H10N2O.C12H9N3O4/c1-13(28)23-16-8-4-15(5-9-16)22(29)24-17-6-2-14(3-7-17)21-25-19-11-10-18(27(31)32)12-20(19)26(21)30;1-25(2)17-9-5-15(6-10-17)22(28)23-16-7-3-14(4-8-16)21-24-19-12-11-18(27(30)31)13-20(19)26(21)29;22-12-13-1-3-15(4-2-13)21(27)23-16-7-5-14(6-8-16)20-24-18-10-9-17(26(29)30)11-19(18)25(20)28;21-14-5-1-13(2-6-14)20(26)22-15-7-3-12(4-8-15)19-23-17-10-9-16(25(28)29)11-18(17)24(19)27;21-19-14-10-12(20(22)23)6-7-13(14)18-17(19)16-9-8-15(24-16)11-4-2-1-3-5-11;1-17(2)11-5-3-4-10(8-11)15-16-13-7-6-12(19(21)22)9-14(13)18(15)20;16-8-9-22-18-14-10-12(19(20)21)6-7-13(14)17-15(18)11-4-2-1-3-5-11;16-15-12-9-5-4-8-11(12)14-13(15)10-6-2-1-3-7-10;1-7-2-5-11(19-7)12-13-9-4-3-8(15(17)18)6-10(9)14(12)16/h2-12,30H,1H3,(H,23,28)(H,24,29);3-13,29H,1-2H3,(H,23,28);1-11,28H,(H,23,27);1-11,27H,(H,22,26);1-10,21H;3-9,20H,1-2H3;1-7,10H,9H2;1-9,16H;2-6,16H,1H3
• InChIKey: QCBZQYKDIMHQOC-UHFFFAOYSA-N
• XLogP: 31.72
• TPSA: 902.41 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 54
• Rotatable Bonds: 31
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3023.87
LogP ≤ 5	31.72
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?

The IUPAC name of 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile (CID 160585296) is 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile.

What is the SMILES notation for 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?

The canonical SMILES for 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile is CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.CN(C)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)c1.Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)o1.N#CCOn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21.N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1.O=[N+]([O-])c1ccc2nc(-c3ccc(-c4ccccc4)o3)n(O)c2c1.On1c(-c2ccccc2)nc2ccccc21.

What is the InChIKey of 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?

The InChIKey is QCBZQYKDIMHQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O5.C22H19N5O4.C21H13N5O4.C20H13FN4O4.C17H11N3O4.C15H14N4O3.C15H10N4O3.C13H10N2O.C12H9N3O4/c1-13(28)23-16-8-4-15(5-9-16)22(29)24-17-6-2-14(3-7-17)21-25-19-11-10-18(27(31)32)12-20(19)26(21)30;1-25(2)17-9-5-15(6-10-17)22(28)23-16-7-3-14(4-8-16)21-24-19-12-11-18(27(30)31)13-20(19)26(21)29;22-12-13-1-3-15(4-2-13)21(27)23-16-7-5-14(6-8-16)20-24-18-10-9-17(26(29)30)11-19(18)25(20)28;21-14-5-1-13(2-6-14)20(26)22-15-7-3-12(4-8-15)19-23-17-10-9-16(25(28)29)11-18(17)24(19)27;21-19-14-10-12(20(22)23)6-7-13(14)18-17(19)16-9-8-15(24-16)11-4-2-1-3-5-11;1-17(2)11-5-3-4-10(8-11)15-16-13-7-6-12(19(21)22)9-14(13)18(15)20;16-8-9-22-18-14-10-12(19(20)21)6-7-13(14)17-15(18)11-4-2-1-3-5-11;16-15-12-9-5-4-8-11(12)14-13(15)10-6-2-1-3-7-10;1-7-2-5-11(19-7)12-13-9-4-3-8(15(17)18)6-10(9)14(12)16/h2-12,30H,1H3,(H,23,28)(H,24,29);3-13,29H,1-2H3,(H,23,28);1-11,28H,(H,23,27);1-11,27H,(H,22,26);1-10,21H;3-9,20H,1-2H3;1-7,10H,9H2;1-9,16H;2-6,16H,1H3.

What are the key properties of 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile?

4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile has a molecular weight of 3023.87 g/mol, XLogP of 31.72, 31 rotatable bonds, 13 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetamido-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-(dimethylamino)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;4-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide;1-hydroxy-2-(5-methylfuran-2-yl)-6-nitrobenzimidazole;3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-N,N-dimethylaniline;1-hydroxy-6-nitro-2-(5-phenylfuran-2-yl)benzimidazole;1-hydroxy-2-phenylbenzimidazole;2-(6-nitro-2-phenylbenzimidazol-1-yl)oxyacetonitrile is sourced from PubChem (CID 160585296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).