4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

C145H135N23O6 — CID 157401327

About 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide

4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 157401327) has the molecular formula C145H135N23O6 and a molecular weight of 2295.83 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
• PubChem CID: 157401327
• Molecular Formula: C145H135N23O6
• Molecular Weight: 2295.83 g/mol
• Exact Mass: 2294.10
• IUPAC Name: 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
• SMILES: CN(C)c1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.CN(C)c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cc1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2cccnc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2ccnc2)c(C#Cc2ccccc2)c1
• InChI: InChI=1S/C27H23N3O.C26H22N4O.C24H21N5O.2C23H24N4O.C22H21N3O/c31-27(28-17-7-10-22-19-29-30-20-22)25-15-16-26(23-11-5-2-6-12-23)24(18-25)14-13-21-8-3-1-4-9-21;31-26(28-15-4-8-21-17-29-30-18-21)23-12-13-25(24-9-5-14-27-19-24)22(16-23)11-10-20-6-2-1-3-7-20;30-24(26-12-4-7-20-16-27-28-17-20)22-10-11-23(29-14-13-25-18-29)21(15-22)9-8-19-5-2-1-3-6-19;1-26(2)22-12-11-21(17-20(22)10-9-19-7-4-3-5-8-19)23(28)25-13-6-15-27-16-14-24-18-27;1-27(2)22-13-12-21(15-20(22)11-10-18-7-4-3-5-8-18)23(28)24-14-6-9-19-16-25-26-17-19;1-17-9-11-21(14-20(17)12-10-18-6-3-2-4-7-18)22(26)23-13-5-8-19-15-24-25-16-19/h1-6,8-9,11-12,15-16,18-20H,7,10,17H2,(H,28,31)(H,29,30);1-3,5-7,9,12-14,16-19H,4,8,15H2,(H,28,31)(H,29,30);1-3,5-6,10-11,13-18H,4,7,12H2,(H,26,30)(H,27,28);3-5,7-8,11-12,14,16-18H,6,13,15H2,1-2H3,(H,25,28);3-5,7-8,12-13,15-17H,6,9,14H2,1-2H3,(H,24,28)(H,25,26);2-4,6-7,9,11,14-16H,5,8,13H2,1H3,(H,23,26)(H,24,25)
• InChIKey: BNEVSQBGJSXDPY-UHFFFAOYSA-N
• XLogP: 22.32
• TPSA: 373.01 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.83
LogP ≤ 5	22.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide (CID 157401327) is 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is CN(C)c1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.CN(C)c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cc1ccc(C(=O)NCCCc2cn[nH]c2)cc1C#Cc1ccccc1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2ccccc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-c2cccnc2)c(C#Cc2ccccc2)c1.O=C(NCCCc1cn[nH]c1)c1ccc(-n2ccnc2)c(C#Cc2ccccc2)c1.

What is the InChIKey of 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

The InChIKey is BNEVSQBGJSXDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O.C26H22N4O.C24H21N5O.2C23H24N4O.C22H21N3O/c31-27(28-17-7-10-22-19-29-30-20-22)25-15-16-26(23-11-5-2-6-12-23)24(18-25)14-13-21-8-3-1-4-9-21;31-26(28-15-4-8-21-17-29-30-18-21)23-12-13-25(24-9-5-14-27-19-24)22(16-23)11-10-20-6-2-1-3-7-20;30-24(26-12-4-7-20-16-27-28-17-20)22-10-11-23(29-14-13-25-18-29)21(15-22)9-8-19-5-2-1-3-6-19;1-26(2)22-12-11-21(17-20(22)10-9-19-7-4-3-5-8-19)23(28)25-13-6-15-27-16-14-24-18-27;1-27(2)22-13-12-21(15-20(22)11-10-18-7-4-3-5-8-18)23(28)24-14-6-9-19-16-25-26-17-19;1-17-9-11-21(14-20(17)12-10-18-6-3-2-4-7-18)22(26)23-13-5-8-19-15-24-25-16-19/h1-6,8-9,11-12,15-16,18-20H,7,10,17H2,(H,28,31)(H,29,30);1-3,5-7,9,12-14,16-19H,4,8,15H2,(H,28,31)(H,29,30);1-3,5-6,10-11,13-18H,4,7,12H2,(H,26,30)(H,27,28);3-5,7-8,11-12,14,16-18H,6,13,15H2,1-2H3,(H,25,28);3-5,7-8,12-13,15-17H,6,9,14H2,1-2H3,(H,24,28)(H,25,26);2-4,6-7,9,11,14-16H,5,8,13H2,1H3,(H,23,26)(H,24,25).

What are the key properties of 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide?

4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 2295.83 g/mol, XLogP of 22.32, 35 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)benzamide;4-(dimethylamino)-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-imidazol-1-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-methyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyridin-3-ylbenzamide;4-phenyl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 157401327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).