1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

C127H127F3N26O12S4 — CID 158204028

About 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide

1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (PubChem CID 158204028) has the molecular formula C127H127F3N26O12S4 and a molecular weight of 2394.84 g/mol. Its IUPAC name is 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
• PubChem CID: 158204028
• Molecular Formula: C127H127F3N26O12S4
• Molecular Weight: 2394.84 g/mol
• Exact Mass: 2392.90
• IUPAC Name: 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide
• SMILES: CC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.O=C(Cc1cccs1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.O=C(Cc1ccsc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccsc4)cc3[nH]2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCNCC4)cc3[nH]2)cc1)C1CCNCC1
• InChI: InChI=1S/C29H31F3N6O4.C25H30N6O2.2C25H20N4O2S2.C23H26N6O2/c1-17(39)37-12-8-19(9-13-37)27(41)34-22-6-7-23-24(16-22)36-25(35-23)18-2-4-21(5-3-18)33-26(40)20-10-14-38(15-11-20)28(42)29(30,31)32;32-24(17-7-11-26-12-8-17)28-19-3-1-16(2-4-19)23-30-21-6-5-20(15-22(21)31-23)29-25(33)18-9-13-27-14-10-18;30-23(14-19-3-1-11-32-19)26-17-7-5-16(6-8-17)25-28-21-10-9-18(13-22(21)29-25)27-24(31)15-20-4-2-12-33-20;30-23(11-16-7-9-32-14-16)26-19-3-1-18(2-4-19)25-28-21-6-5-20(13-22(21)29-25)27-24(31)12-17-8-10-33-15-17;30-22(18-3-1-11-24-18)26-15-7-5-14(6-8-15)21-28-17-10-9-16(13-20(17)29-21)27-23(31)19-4-2-12-25-19/h2-7,16,19-20H,8-15H2,1H3,(H,33,40)(H,34,41)(H,35,36);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-13H,14-15H2,(H,26,30)(H,27,31)(H,28,29);1-10,13-15H,11-12H2,(H,26,30)(H,27,31)(H,28,29);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29)
• InChIKey: GBGWSOQDPCARBG-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 523.14 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.84
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?

The IUPAC name of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide (CID 158204028) is 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide.

What is the SMILES notation for 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?

The canonical SMILES for 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is CC(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)C5CCN(C(=O)C(F)(F)F)CC5)cc4)[nH]c3c2)CC1.O=C(Cc1cccs1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4cccs4)cc3[nH]2)cc1.O=C(Cc1ccsc1)Nc1ccc(-c2nc3ccc(NC(=O)Cc4ccsc4)cc3[nH]2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCN4)cc3[nH]2)cc1)C1CCCN1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCNCC4)cc3[nH]2)cc1)C1CCNCC1.

What is the InChIKey of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?

The InChIKey is GBGWSOQDPCARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O4.C25H30N6O2.2C25H20N4O2S2.C23H26N6O2/c1-17(39)37-12-8-19(9-13-37)27(41)34-22-6-7-23-24(16-22)36-25(35-23)18-2-4-21(5-3-18)33-26(40)20-10-14-38(15-11-20)28(42)29(30,31)32;32-24(17-7-11-26-12-8-17)28-19-3-1-16(2-4-19)23-30-21-6-5-20(15-22(21)31-23)29-25(33)18-9-13-27-14-10-18;30-23(14-19-3-1-11-32-19)26-17-7-5-16(6-8-17)25-28-21-10-9-18(13-22(21)29-25)27-24(31)15-20-4-2-12-33-20;30-23(11-16-7-9-32-14-16)26-19-3-1-18(2-4-19)25-28-21-6-5-20(13-22(21)29-25)27-24(31)12-17-8-10-33-15-17;30-22(18-3-1-11-24-18)26-15-7-5-14(6-8-15)21-28-17-10-9-16(13-20(17)29-21)27-23(31)19-4-2-12-25-19/h2-7,16,19-20H,8-15H2,1H3,(H,33,40)(H,34,41)(H,35,36);1-6,15,17-18,26-27H,7-14H2,(H,28,32)(H,29,33)(H,30,31);1-13H,14-15H2,(H,26,30)(H,27,31)(H,28,29);1-10,13-15H,11-12H2,(H,26,30)(H,27,31)(H,28,29);5-10,13,18-19,24-25H,1-4,11-12H2,(H,26,30)(H,27,31)(H,28,29).

What are the key properties of 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide?

1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 2394.84 g/mol, XLogP of 21.31, 29 rotatable bonds, 19 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[2-[4-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]phenyl]-3H-benzimidazol-5-yl]piperidine-4-carboxamide;N-[4-[6-(piperidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]piperidine-4-carboxamide;N-[4-[6-(pyrrolidine-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide;2-thiophen-2-yl-N-[4-[6-[(2-thiophen-2-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide;2-thiophen-3-yl-N-[4-[6-[(2-thiophen-3-ylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 158204028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).