4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone

C168H136N18O13 — CID 157123721

About 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone

4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (PubChem CID 157123721) has the molecular formula C168H136N18O13 and a molecular weight of 2615.05 g/mol. Its IUPAC name is 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.

Molecular Properties

• Compound Name: 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
• PubChem CID: 157123721
• Molecular Formula: C168H136N18O13
• Molecular Weight: 2615.05 g/mol
• Exact Mass: 2613.05
• IUPAC Name: 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone
• SMILES: CN(C)c1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(N(C)C)cc6)[nH]c5c4)cc3C2)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.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)[nH]c3c2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1)c1ccccc1
• InChI: InChI=1S/C31H29N5.C29H23N3O2.C29H22O3.C28H23N5O2.C28H21N3O2.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;29-21-8-2-18(3-9-21)26(34)16-17-1-14-24-25(15-17)33-27(32-24)19-6-12-23(13-7-19)31-28(35)20-4-10-22(30)11-5-20;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-22(15-13-21)28(33)29-23-9-5-2-6-10-23;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;1-15H,16,29-30H2,(H,31,35)(H,32,33);1-17H,18H2,(H,29,33)(H,30,31);2-12H,13H2,1H3,(H,24,25)(H,27,28)
• InChIKey: AIGULRNDSUGBQL-UHFFFAOYSA-N
• XLogP: 34.41
• TPSA: 452.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2615.05
LogP ≤ 5	34.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The IUPAC name of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone (CID 157123721) is 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone.

What is the SMILES notation for 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The canonical SMILES for 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone is CN(C)c1ccc(C2=Nc3ccc(-c4ccc5nc(-c6ccc(N(C)C)cc6)[nH]c5c4)cc3C2)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.Nc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)[nH]c3c2)cc1.O=C(Cc1ccc(C(=O)c2ccc(CC(=O)c3ccccc3)cc2)cc1)c1ccccc1.O=C(Cc1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1)c1ccccc1.

What is the InChIKey of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

The InChIKey is AIGULRNDSUGBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5.C29H23N3O2.C29H22O3.C28H23N5O2.C28H21N3O2.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;29-21-8-2-18(3-9-21)26(34)16-17-1-14-24-25(15-17)33-27(32-24)19-6-12-23(13-7-19)31-28(35)20-4-10-22(30)11-5-20;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-22(15-13-21)28(33)29-23-9-5-2-6-10-23;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;1-15H,16,29-30H2,(H,31,35)(H,32,33);1-17H,18H2,(H,29,33)(H,30,31);2-12H,13H2,1H3,(H,24,25)(H,27,28).

What are the key properties of 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone?

4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone has a molecular weight of 2615.05 g/mol, XLogP of 34.41, 36 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-[5-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]-N,N-dimethylaniline;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;4-(6-phenacyl-1H-benzimidazol-2-yl)-N-phenylbenzamide;2-[4-(4-phenacylbenzoyl)phenyl]-1-phenylethanone is sourced from PubChem (CID 157123721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).