N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

C75H66Br3Cl3N12O6 — CID 158404829

About N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 158404829) has the molecular formula C75H66Br3Cl3N12O6 and a molecular weight of 1577.50 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 158404829
• Molecular Formula: C75H66Br3Cl3N12O6
• Molecular Weight: 1577.50 g/mol
• Exact Mass: 1572.18
• IUPAC Name: N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
• InChI: InChI=1S/C26H24BrClN4O2.C25H22BrClN4O2.C24H20BrClN4O2/c27-20-9-11-24(30-16-20)31-26(34)22-15-21(28)10-8-19(22)14-23(33)17-4-6-18(7-5-17)25(29)32-12-2-1-3-13-32;26-19-8-10-23(29-15-19)30-25(33)21-14-20(27)9-7-18(21)13-22(32)16-3-5-17(6-4-16)24(28)31-11-1-2-12-31;1-30-11-10-27-23(30)16-4-2-15(3-5-16)21(31)12-17-6-8-19(26)13-20(17)24(32)29-22-9-7-18(25)14-28-22/h4-11,15-16,29H,1-3,12-14H2,(H,30,31,34);3-10,14-15,28H,1-2,11-13H2,(H,29,30,33);2-9,13-14H,10-12H2,1H3,(H,28,29,32)/b29-25-;28-24-
• InChIKey: GYNYEYKGNHMZAN-BLNIDHASSA-N
• XLogP: 16.45
• TPSA: 246.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.50
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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 N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 158404829) is N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

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

The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is CN1CCN=C1c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1.

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

The InChIKey is GYNYEYKGNHMZAN-BLNIDHASSA-N. The full InChI is InChI=1S/C26H24BrClN4O2.C25H22BrClN4O2.C24H20BrClN4O2/c27-20-9-11-24(30-16-20)31-26(34)22-15-21(28)10-8-19(22)14-23(33)17-4-6-18(7-5-17)25(29)32-12-2-1-3-13-32;26-19-8-10-23(29-15-19)30-25(33)21-14-20(27)9-7-18(21)13-22(32)16-3-5-17(6-4-16)24(28)31-11-1-2-12-31;1-30-11-10-27-23(30)16-4-2-15(3-5-16)21(31)12-17-6-8-19(26)13-20(17)24(32)29-22-9-7-18(25)14-28-22/h4-11,15-16,29H,1-3,12-14H2,(H,30,31,34);3-10,14-15,28H,1-2,11-13H2,(H,29,30,33);2-9,13-14H,10-12H2,1H3,(H,28,29,32)/b29-25-;28-24-;.

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

N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1577.50 g/mol, XLogP of 16.45, 18 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158404829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).