2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide

C161H138F2N26O23 — CID 161286549

About 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide

2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 161286549) has the molecular formula C161H138F2N26O23 and a molecular weight of 2843.03 g/mol. Its IUPAC name is 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
• PubChem CID: 161286549
• Molecular Formula: C161H138F2N26O23
• Molecular Weight: 2843.03 g/mol
• Exact Mass: 2841.04
• IUPAC Name: 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
• SMILES: CN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cc(C#N)ccc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cc(C(=O)O)ccc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.CN(C)c1ccc2nc(-c3ccc(CC(=O)c4ccc(F)cc4)cc3)n(O)c2c1.COc1ccc(C(=O)NCc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.Cc1ccc2c(c1)nc(-c1ccc(CC(=O)c3ccc(N(C)C)cc3)cc1)n2O.O=C(NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C24H20N4O2.C24H21N3O4.C24H23N3O2.C23H20FN3O2.C23H21N5O4.C22H18N4O5.C21H15FN4O4/c1-27(2)20-10-8-18(9-11-20)23(29)14-16-3-6-19(7-4-16)24-26-21-13-17(15-25)5-12-22(21)28(24)30;1-26(2)19-10-7-16(8-11-19)22(28)13-15-3-5-17(6-4-15)23-25-20-14-18(24(29)30)9-12-21(20)27(23)31;1-16-4-13-22-21(14-16)25-24(27(22)29)19-7-5-17(6-8-19)15-23(28)18-9-11-20(12-10-18)26(2)3;1-26(2)19-11-12-20-21(14-19)27(29)23(25-20)17-5-3-15(4-6-17)13-22(28)16-7-9-18(24)10-8-16;1-26(2)18-9-7-17(8-10-18)23(29)24-14-15-3-5-16(6-4-15)22-25-20-12-11-19(28(31)32)13-21(20)27(22)30;1-31-18-9-6-16(7-10-18)22(27)23-13-14-2-4-15(5-3-14)21-24-19-11-8-17(26(29)30)12-20(19)25(21)28;22-16-7-5-15(6-8-16)21(27)23-12-13-1-3-14(4-2-13)20-24-18-10-9-17(26(29)30)11-19(18)25(20)28/h3-13,30H,14H2,1-2H3;3-12,14,31H,13H2,1-2H3,(H,29,30);4-14,29H,15H2,1-3H3;3-12,14,29H,13H2,1-2H3;3-13,30H,14H2,1-2H3,(H,24,29);2-12,28H,13H2,1H3,(H,23,27);1-11,28H,12H2,(H,23,27)
• InChIKey: WPHYDFIEPQORBT-UHFFFAOYSA-N
• XLogP: 29.30
• TPSA: 637.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 38
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2843.03
LogP ≤ 5	29.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

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 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?

The IUPAC name of 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide (CID 161286549) is 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide.

What is the SMILES notation for 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?

The canonical SMILES for 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide is CN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cc(C#N)ccc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cc(C(=O)O)ccc4n3O)cc2)cc1.CN(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.CN(C)c1ccc2nc(-c3ccc(CC(=O)c4ccc(F)cc4)cc3)n(O)c2c1.COc1ccc(C(=O)NCc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1.Cc1ccc2c(c1)nc(-c1ccc(CC(=O)c3ccc(N(C)C)cc3)cc1)n2O.O=C(NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1.

What is the InChIKey of 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?

The InChIKey is WPHYDFIEPQORBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.C24H21N3O4.C24H23N3O2.C23H20FN3O2.C23H21N5O4.C22H18N4O5.C21H15FN4O4/c1-27(2)20-10-8-18(9-11-20)23(29)14-16-3-6-19(7-4-16)24-26-21-13-17(15-25)5-12-22(21)28(24)30;1-26(2)19-10-7-16(8-11-19)22(28)13-15-3-5-17(6-4-15)23-25-20-14-18(24(29)30)9-12-21(20)27(23)31;1-16-4-13-22-21(14-16)25-24(27(22)29)19-7-5-17(6-8-19)15-23(28)18-9-11-20(12-10-18)26(2)3;1-26(2)19-11-12-20-21(14-19)27(29)23(25-20)17-5-3-15(4-6-17)13-22(28)16-7-9-18(24)10-8-16;1-26(2)18-9-7-17(8-10-18)23(29)24-14-15-3-5-16(6-4-15)22-25-20-12-11-19(28(31)32)13-21(20)27(22)30;1-31-18-9-6-16(7-10-18)22(27)23-13-14-2-4-15(5-3-14)21-24-19-11-8-17(26(29)30)12-20(19)25(21)28;22-16-7-5-15(6-8-16)21(27)23-12-13-1-3-14(4-2-13)20-24-18-10-9-17(26(29)30)11-19(18)25(20)28/h3-13,30H,14H2,1-2H3;3-12,14,31H,13H2,1-2H3,(H,29,30);4-14,29H,15H2,1-3H3;3-12,14,29H,13H2,1-2H3;3-13,30H,14H2,1-2H3,(H,24,29);2-12,28H,13H2,1H3,(H,23,27);1-11,28H,12H2,(H,23,27).

What are the key properties of 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide?

2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 2843.03 g/mol, XLogP of 29.30, 38 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(dimethylamino)-1-hydroxybenzimidazol-2-yl]phenyl]-1-(4-fluorophenyl)ethanone;4-(dimethylamino)-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;1-[4-(dimethylamino)phenyl]-2-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]ethanone;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carbonitrile;2-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenyl]-1-hydroxybenzimidazole-5-carboxylic acid;4-fluoro-N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]benzamide;N-[[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 161286549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).