4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone

C209H181N23O20 — CID 159206151

About 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone

4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (PubChem CID 159206151) has the molecular formula C209H181N23O20 and a molecular weight of 3334.89 g/mol. Its IUPAC name is 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.

Molecular Properties

• Compound Name: 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
• PubChem CID: 159206151
• Molecular Formula: C209H181N23O20
• Molecular Weight: 3334.89 g/mol
• Exact Mass: 3332.39
• IUPAC Name: 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
• SMILES: CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(N(C)C)cc6)[nH]c5c4)cc3C2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)O)cc4)cc3[nH]2)cc1.COc1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(OC)cc6)[nH]c5c4)cc3C2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1
• InChI: InChI=1S/C31H29N5.C29H23N3O2.C29H22O3.C25H26N4O.C25H23N3O3.C24H20N2O4.C23H20N4O3.C23H18N2O4/c1-35(2)25-11-5-20(6-12-25)29-19-24-17-22(9-15-27(24)32-29)23-10-16-28-30(18-23)34-31(33-28)21-7-13-26(14-8-21)36(3)4;1-33-23-9-3-18(4-10-23)27-17-22-15-20(7-13-25(22)30-27)21-8-14-26-28(16-21)32-29(31-26)19-5-11-24(34-2)12-6-19;30-27(23-7-3-1-4-8-23)19-21-11-15-25(16-12-21)29(32)26-17-13-22(14-18-26)20-28(31)24-9-5-2-6-10-24;1-28(2)20-11-9-18(10-12-20)24(30)15-17-8-13-22-23(14-17)27-25(26-22)19-6-5-7-21(16-19)29(3)4;1-28(2)20-11-9-18(10-12-20)24-26-21-13-4-16(14-22(21)27-24)15-23(29)17-5-7-19(8-6-17)25(30)31-3;1-29-19-10-8-17(9-11-19)23-25-20-12-3-15(13-21(20)26-23)14-22(27)16-4-6-18(7-5-16)24(28)30-2;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;1-29-18-9-7-16(8-10-18)22-24-19-11-2-14(12-20(19)25-22)13-21(26)15-3-5-17(6-4-15)23(27)28/h5-18H,19H2,1-4H3,(H,33,34);3-16H,17H2,1-2H3,(H,31,32);1-18H,19-20H2;5-14,16H,15H2,1-4H3,(H,26,27);4-14H,15H2,1-3H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2-12H,13H2,1H3,(H,24,25)(H,27,28)
• InChIKey: KPXJOHOGMWBNPN-UHFFFAOYSA-N
• XLogP: 40.44
• TPSA: 569.41 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3334.89
LogP ≤ 5	40.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The IUPAC name of 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (CID 159206151) is 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.

What is the SMILES notation for 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The canonical SMILES for 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone is CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(N(C)C)cc6)[nH]c5c4)cc3C2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(N(C)C)cc4)[nH]c3c2)cc1.COC(=O)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(OC)cc4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)O)cc4)cc3[nH]2)cc1.COc1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(OC)cc6)[nH]c5c4)cc3C2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1.

What is the InChIKey of 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The InChIKey is KPXJOHOGMWBNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5.C29H23N3O2.C29H22O3.C25H26N4O.C25H23N3O3.C24H20N2O4.C23H20N4O3.C23H18N2O4/c1-35(2)25-11-5-20(6-12-25)29-19-24-17-22(9-15-27(24)32-29)23-10-16-28-30(18-23)34-31(33-28)21-7-13-26(14-8-21)36(3)4;1-33-23-9-3-18(4-10-23)27-17-22-15-20(7-13-25(22)30-27)21-8-14-26-28(16-21)32-29(31-26)19-5-11-24(34-2)12-6-19;30-27(23-7-3-1-4-8-23)19-21-11-15-25(16-12-21)29(32)26-17-13-22(14-18-26)20-28(31)24-9-5-2-6-10-24;1-28(2)20-11-9-18(10-12-20)24(30)15-17-8-13-22-23(14-17)27-25(26-22)19-6-5-7-21(16-19)29(3)4;1-28(2)20-11-9-18(10-12-20)24-26-21-13-4-16(14-22(21)27-24)15-23(29)17-5-7-19(8-6-17)25(30)31-3;1-29-19-10-8-17(9-11-19)23-25-20-12-3-15(13-21(20)26-23)14-22(27)16-4-6-18(7-5-16)24(28)30-2;1-30-18-9-7-16(8-10-18)22-25-19-11-2-14(12-20(19)26-22)13-21(28)15-3-5-17(6-4-15)23(29)27-24;1-29-18-9-7-16(8-10-18)22-24-19-11-2-14(12-20(19)25-22)13-21(26)15-3-5-17(6-4-15)23(27)28/h5-18H,19H2,1-4H3,(H,33,34);3-16H,17H2,1-2H3,(H,31,32);1-18H,19-20H2;5-14,16H,15H2,1-4H3,(H,26,27);4-14H,15H2,1-3H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2-12H,13H2,1H3,(H,24,25)(H,27,28).

What are the key properties of 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone has a molecular weight of 3334.89 g/mol, XLogP of 40.44, 48 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)-3H-indol-5-yl]-1H-benzimidazole;methyl 4-[2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]acetyl]benzoate;methyl 4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoate;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 159206151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).