N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide

C173H154N34O8 — CID 158359934

About N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide

N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide (PubChem CID 158359934) has the molecular formula C173H154N34O8 and a molecular weight of 2837.36 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

• Compound Name: N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide
• PubChem CID: 158359934
• Molecular Formula: C173H154N34O8
• Molecular Weight: 2837.36 g/mol
• Exact Mass: 2835.27
• IUPAC Name: N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide
• SMILES: Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cn1cnc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)c1.O=C(NCCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)c(C#Cc2ccccc2)c1
• InChI: InChI=1S/C27H23N3O2.4C25H23N5O.C23H20N6O.C23H19N5O/c31-27(29-16-7-18-30-19-17-28-21-30)24-14-15-26(32-25-10-5-2-6-11-25)23(20-24)13-12-22-8-3-1-4-9-22;2*1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;31-25(27-13-4-5-16-29-18-15-26-20-29)23-11-12-24(30-17-6-14-28-30)22(19-23)10-9-21-7-2-1-3-8-21;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19;1-27-16-21(25-17-27)15-24-23(29)20-10-11-22(28-13-5-12-26-28)19(14-20)9-8-18-6-3-2-4-7-18/h1-6,8-11,14-15,17,19-21H,7,16,18H2,(H,29,31);2*3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-3,6-8,11-12,14-15,17-20H,4-5,13,16H2,(H,27,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30);2-7,10-14,16-17H,15H2,1H3,(H,24,29)
• InChIKey: GTIPYJAUHGBRPS-UHFFFAOYSA-N
• XLogP: 24.98
• TPSA: 457.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2837.36
LogP ≤ 5	24.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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 N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?

The IUPAC name of N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide (CID 158359934) is N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide.

What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?

The canonical SMILES for N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide is Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.Cn1cnc(CNC(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)c1.O=C(NCCCCn1ccnc1)c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)c(C#Cc2ccccc2)c1.

What is the InChIKey of N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?

The InChIKey is GTIPYJAUHGBRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2.4C25H23N5O.C23H20N6O.C23H19N5O/c31-27(29-16-7-18-30-19-17-28-21-30)24-14-15-26(32-25-10-5-2-6-11-25)23(20-24)13-12-22-8-3-1-4-9-22;2*1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;31-25(27-13-4-5-16-29-18-15-26-20-29)23-11-12-24(30-17-6-14-28-30)22(19-23)10-9-21-7-2-1-3-8-21;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19;1-27-16-21(25-17-27)15-24-23(29)20-10-11-22(28-13-5-12-26-28)19(14-20)9-8-18-6-3-2-4-7-18/h1-6,8-11,14-15,17,19-21H,7,16,18H2,(H,29,31);2*3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-3,6-8,11-12,14-15,17-20H,4-5,13,16H2,(H,27,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30);2-7,10-14,16-17H,15H2,1H3,(H,24,29).

What are the key properties of N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide?

N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 2837.36 g/mol, XLogP of 24.98, 42 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazol-1-ylbutyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide;N-[(1-methylimidazol-4-yl)methyl]-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 158359934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).