N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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

C201H174ClN25O17 — CID 159264807

About N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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

N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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 (PubChem CID 159264807) has the molecular formula C201H174ClN25O17 and a molecular weight of 3247.21 g/mol. Its IUPAC name is N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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.

Molecular Properties

• Compound Name: N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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
• PubChem CID: 159264807
• Molecular Formula: C201H174ClN25O17
• Molecular Weight: 3247.21 g/mol
• Exact Mass: 3244.32
• IUPAC Name: N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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
• SMILES: CN(C)c1ccc(-c2nc3ccc(CC(=O)c4ccc5[nH]ccc5c4)cc3[nH]2)cc1.CN(C)c1ccc(-c2nc3ccc(CC(=O)c4cccc(Cl)c4)cc3[nH]2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)CC=C5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5ccn(C)c5c4)[nH]c3c2)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)O)cc4)cc3[nH]2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(CC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1
• InChI: InChI=1S/C29H24N4O2.C26H24N4O.C26H23N3O.C25H22N4O.C25H23N3O3.C24H20N2O4.C23H20ClN3O.C23H18N2O4/c1-18-2-5-22(6-3-18)29(35)31-24-13-9-21(10-14-24)28-32-25-15-4-19(16-26(25)33-28)17-27(34)20-7-11-23(30)12-8-20;1-29(2)21-9-7-19(8-10-21)25(31)15-17-4-11-22-23(14-17)28-26(27-22)20-6-5-18-12-13-30(3)24(18)16-20;1-29(2)22-11-9-19(10-12-22)25(30)15-17-6-13-23-24(14-17)28-26(27-23)21-8-7-18-4-3-5-20(18)16-21;1-29(2)20-7-4-17(5-8-20)25-27-22-9-3-16(13-23(22)28-25)14-24(30)19-6-10-21-18(15-19)11-12-26-21;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;1-27(2)19-9-7-16(8-10-19)23-25-20-11-6-15(12-21(20)26-23)13-22(28)17-4-3-5-18(24)14-17;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/h2-16H,17,30H2,1H3,(H,31,35)(H,32,33);4-14,16H,15H2,1-3H3,(H,27,28);3-4,6-14,16H,5,15H2,1-2H3,(H,27,28);3-13,15,26H,14H2,1-2H3,(H,27,28);4-14H,15H2,1-3H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);3-12,14H,13H2,1-2H3,(H,25,26);2-12H,13H2,1H3,(H,24,25)(H,27,28)
• InChIKey: KWYSKCNMACZRKP-UHFFFAOYSA-N
• XLogP: 40.20
• TPSA: 566.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 44
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3247.21
LogP ≤ 5	40.20
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

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 N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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?

The IUPAC name of N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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 (CID 159264807) is N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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.

What is the SMILES notation for N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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?

The canonical SMILES for N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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 is CN(C)c1ccc(-c2nc3ccc(CC(=O)c4ccc5[nH]ccc5c4)cc3[nH]2)cc1.CN(C)c1ccc(-c2nc3ccc(CC(=O)c4cccc(Cl)c4)cc3[nH]2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)CC=C5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5ccn(C)c5c4)[nH]c3c2)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)O)cc4)cc3[nH]2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(CC(=O)c5ccc(N)cc5)cc4[nH]3)cc2)cc1.

What is the InChIKey of N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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?

The InChIKey is KWYSKCNMACZRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2.C26H24N4O.C26H23N3O.C25H22N4O.C25H23N3O3.C24H20N2O4.C23H20ClN3O.C23H18N2O4/c1-18-2-5-22(6-3-18)29(35)31-24-13-9-21(10-14-24)28-32-25-15-4-19(16-26(25)33-28)17-27(34)20-7-11-23(30)12-8-20;1-29(2)21-9-7-19(8-10-21)25(31)15-17-4-11-22-23(14-17)28-26(27-22)20-6-5-18-12-13-30(3)24(18)16-20;1-29(2)22-11-9-19(10-12-22)25(30)15-17-6-13-23-24(14-17)28-26(27-23)21-8-7-18-4-3-5-20(18)16-21;1-29(2)20-7-4-17(5-8-20)25-27-22-9-3-16(13-23(22)28-25)14-24(30)19-6-10-21-18(15-19)11-12-26-21;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;1-27(2)19-9-7-16(8-10-19)23-25-20-11-6-15(12-21(20)26-23)13-22(28)17-4-3-5-18(24)14-17;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/h2-16H,17,30H2,1H3,(H,31,35)(H,32,33);4-14,16H,15H2,1-3H3,(H,27,28);3-4,6-14,16H,5,15H2,1-2H3,(H,27,28);3-13,15,26H,14H2,1-2H3,(H,27,28);4-14H,15H2,1-3H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);3-12,14H,13H2,1-2H3,(H,25,26);2-12H,13H2,1H3,(H,24,25)(H,27,28).

What are the key properties of N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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?

N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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 has a molecular weight of 3247.21 g/mol, XLogP of 40.20, 44 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-(1H-indol-5-yl)ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(3H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-6-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzoic acid;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 is sourced from PubChem (CID 159264807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).