2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone

C220H192N28O14 — CID 159154668

About 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone

2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone (PubChem CID 159154668) has the molecular formula C220H192N28O14 and a molecular weight of 3452.14 g/mol. Its IUPAC name is 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone
• PubChem CID: 159154668
• Molecular Formula: C220H192N28O14
• Molecular Weight: 3452.14 g/mol
• Exact Mass: 3449.52
• IUPAC Name: 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone
• SMILES: CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(Cc5ccccc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)C=CC5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(ccn5C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(-n5cccc5)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccncc1
• InChI: InChI=1S/C30H27N3O.C26H24N4O.C26H21N3O2.C26H23N3O.C25H26N4O.C23H20N4O3.2C22H18N2O2.C20H15N3O/c1-33(2)26-15-13-24(14-16-26)29(34)20-23-10-17-27-28(19-23)32-30(31-27)25-11-8-22(9-12-25)18-21-6-4-3-5-7-21;1-29(2)21-8-5-18(6-9-21)25(31)15-17-4-10-22-23(14-17)28-26(27-22)20-7-11-24-19(16-20)12-13-30(24)3;1-31-22-11-7-20(8-12-22)26-27-23-13-4-18(16-24(23)28-26)17-25(30)19-5-9-21(10-6-19)29-14-2-3-15-29;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;1-28(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;1-30-18-9-7-16(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;2*1-26-18-10-8-16(9-11-18)21(25)14-15-7-12-19-20(13-15)24-22(23-19)17-5-3-2-4-6-17;24-19(15-8-10-21-11-9-15)13-14-6-7-17-18(12-14)23-20(22-17)16-4-2-1-3-5-16/h3-17,19H,18,20H2,1-2H3,(H,31,32);4-14,16H,15H2,1-3H3,(H,27,28);2-16H,17H2,1H3,(H,27,28);3,5-14,16H,4,15H2,1-2H3,(H,27,28);5-14,16H,15H2,1-4H3,(H,26,27);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2*2-13H,14H2,1H3,(H,23,24);1-12H,13H2,(H,22,23)
• InChIKey: KJSSZFQJRDYESU-UHFFFAOYSA-N
• XLogP: 43.70
• TPSA: 542.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 49
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3452.14
LogP ≤ 5	43.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'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 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone?

The IUPAC name of 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone (CID 159154668) is 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone.

What is the SMILES notation for 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone?

The canonical SMILES for 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone is CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(Cc5ccccc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(c4)C=CC5)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc5c(ccn5C)c4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4cccc(N(C)C)c4)[nH]c3c2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(-n5cccc5)cc4)cc3[nH]2)cc1.COc1ccc(-c2nc3ccc(CC(=O)c4ccc(C(=O)NN)cc4)cc3[nH]2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.COc1ccc(C(=O)Cc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.O=C(Cc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccncc1.

What is the InChIKey of 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone?

The InChIKey is KJSSZFQJRDYESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O.C26H24N4O.C26H21N3O2.C26H23N3O.C25H26N4O.C23H20N4O3.2C22H18N2O2.C20H15N3O/c1-33(2)26-15-13-24(14-16-26)29(34)20-23-10-17-27-28(19-23)32-30(31-27)25-11-8-22(9-12-25)18-21-6-4-3-5-7-21;1-29(2)21-8-5-18(6-9-21)25(31)15-17-4-10-22-23(14-17)28-26(27-22)20-7-11-24-19(16-20)12-13-30(24)3;1-31-22-11-7-20(8-12-22)26-27-23-13-4-18(16-24(23)28-26)17-25(30)19-5-9-21(10-6-19)29-14-2-3-15-29;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;1-28(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;1-30-18-9-7-16(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;2*1-26-18-10-8-16(9-11-18)21(25)14-15-7-12-19-20(13-15)24-22(23-19)17-5-3-2-4-6-17;24-19(15-8-10-21-11-9-15)13-14-6-7-17-18(12-14)23-20(22-17)16-4-2-1-3-5-16/h3-17,19H,18,20H2,1-2H3,(H,31,32);4-14,16H,15H2,1-3H3,(H,27,28);2-16H,17H2,1H3,(H,27,28);3,5-14,16H,4,15H2,1-2H3,(H,27,28);5-14,16H,15H2,1-4H3,(H,26,27);2-12H,13,24H2,1H3,(H,25,26)(H,27,29);2*2-13H,14H2,1H3,(H,23,24);1-12H,13H2,(H,22,23).

What are the key properties of 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone?

2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone has a molecular weight of 3452.14 g/mol, XLogP of 43.70, 49 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[3-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1H-inden-5-yl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;4-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetyl]benzohydrazide;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 159154668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).