5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide

C96H84Br3Cl5N20O8S — CID 157075232

About 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide

5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 157075232) has the molecular formula C96H84Br3Cl5N20O8S and a molecular weight of 2094.90 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

• Compound Name: 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
• PubChem CID: 157075232
• Molecular Formula: C96H84Br3Cl5N20O8S
• Molecular Weight: 2094.90 g/mol
• Exact Mass: 2088.25
• IUPAC Name: 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1
• InChI: InChI=1S/C25H23BrClN5O2.C24H21BrClN5O2.C24H21Cl2N5O2S.C23H19BrClN5O2/c26-18-8-10-21(20(14-18)25(34)31-22-11-9-19(27)15-29-22)30-24(33)17-6-4-16(5-7-17)23(28)32-12-2-1-3-13-32;25-17-7-9-20(19(13-17)24(33)30-21-10-8-18(26)14-28-21)29-23(32)16-5-3-15(4-6-16)22(27)31-11-1-2-12-31;25-17-5-7-20(19(13-17)24(33)30-21-8-6-18(26)14-28-21)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;1-30-11-10-26-21(30)14-2-4-15(5-3-14)22(31)28-19-8-6-16(24)12-18(19)23(32)29-20-9-7-17(25)13-27-20/h4-11,14-15,28H,1-3,12-13H2,(H,30,33)(H,29,31,34);3-10,13-14,27H,1-2,11-12H2,(H,29,32)(H,28,30,33);1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-9,12-13H,10-11H2,1H3,(H,28,31)(H,27,29,32)/b28-23-;2*27-22-
• InChIKey: ACWXGWHWDVKIQA-SCFDULKFSA-N
• XLogP: 21.20
• TPSA: 381.23 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2094.90
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

The IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide (CID 157075232) is 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide.

What is the SMILES notation for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

The canonical SMILES for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide is CN1CCN=C1c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1.

What is the InChIKey of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

The InChIKey is ACWXGWHWDVKIQA-SCFDULKFSA-N. The full InChI is InChI=1S/C25H23BrClN5O2.C24H21BrClN5O2.C24H21Cl2N5O2S.C23H19BrClN5O2/c26-18-8-10-21(20(14-18)25(34)31-22-11-9-19(27)15-29-22)30-24(33)17-6-4-16(5-7-17)23(28)32-12-2-1-3-13-32;25-17-7-9-20(19(13-17)24(33)30-21-10-8-18(26)14-28-21)29-23(32)16-5-3-15(4-6-16)22(27)31-11-1-2-12-31;25-17-5-7-20(19(13-17)24(33)30-21-8-6-18(26)14-28-21)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;1-30-11-10-26-21(30)14-2-4-15(5-3-14)22(31)28-19-8-6-16(24)12-18(19)23(32)29-20-9-7-17(25)13-27-20/h4-11,14-15,28H,1-3,12-13H2,(H,30,33)(H,29,31,34);3-10,13-14,27H,1-2,11-12H2,(H,29,32)(H,28,30,33);1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-9,12-13H,10-11H2,1H3,(H,28,31)(H,27,29,32)/b28-23-;2*27-22-;.

What are the key properties of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide?

5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 2094.90 g/mol, XLogP of 21.20, 20 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 157075232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).