1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide

C112H148Cl3F3N28O5 — CID 160784049

About 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide

1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide (PubChem CID 160784049) has the molecular formula C112H148Cl3F3N28O5 and a molecular weight of 2129.96 g/mol. Its IUPAC name is 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide
• PubChem CID: 160784049
• Molecular Formula: C112H148Cl3F3N28O5
• Molecular Weight: 2129.96 g/mol
• Exact Mass: 2127.12
• IUPAC Name: 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide
• SMILES: Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C(CCc3cnc[nH]3)C2)cc1.O=C(/C=C/c1ccccc1)N1CCN(CCCCc2cnc[nH]2)CC1.O=C(/C=C/c1cccnc1)N1CCN(CCCCc2cnc[nH]2)CC1.O=C(NCCCCCc1cnc[nH]1)C1CNCCN1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(CCCCc2cnc[nH]2)CC1.O=C(Nc1cccc(Cl)c1)N1CCN(CCCCc2cnc[nH]2)CC1
• InChI: InChI=1S/C23H26Cl2N4.C20H26N4O.C19H24F3N5O.C19H25N5O.C18H24ClN5O.C13H23N5O/c24-20-5-1-18(2-6-20)14-28-11-12-29(15-19-3-7-21(25)8-4-19)23(16-28)10-9-22-13-26-17-27-22;25-20(10-9-18-6-2-1-3-7-18)24-14-12-23(13-15-24)11-5-4-8-19-16-21-17-22-19;20-19(21,22)15-4-6-16(7-5-15)25-18(28)27-11-9-26(10-12-27)8-2-1-3-17-13-23-14-24-17;25-19(7-6-17-4-3-8-20-14-17)24-12-10-23(11-13-24)9-2-1-5-18-15-21-16-22-18;19-15-4-3-6-16(12-15)22-18(25)24-10-8-23(9-11-24)7-2-1-5-17-13-20-14-21-17;19-13(12-9-14-6-7-16-12)17-5-3-1-2-4-11-8-15-10-18-11/h1-8,13,17,23H,9-12,14-16H2,(H,26,27);1-3,6-7,9-10,16-17H,4-5,8,11-15H2,(H,21,22);4-7,13-14H,1-3,8-12H2,(H,23,24)(H,25,28);3-4,6-8,14-16H,1-2,5,9-13H2,(H,21,22);3-4,6,12-14H,1-2,5,7-11H2,(H,20,21)(H,22,25);8,10,12,14,16H,1-7,9H2,(H,15,18)(H,17,19)/b;10-9+;;7-6+
• InChIKey: SAYVSVAYKYDJQF-DRZMBMSDSA-N
• XLogP: 16.25
• TPSA: 362.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.96
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide?

The IUPAC name of 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide (CID 160784049) is 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide.

What is the SMILES notation for 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide?

The canonical SMILES for 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide is Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C(CCc3cnc[nH]3)C2)cc1.O=C(/C=C/c1ccccc1)N1CCN(CCCCc2cnc[nH]2)CC1.O=C(/C=C/c1cccnc1)N1CCN(CCCCc2cnc[nH]2)CC1.O=C(NCCCCCc1cnc[nH]1)C1CNCCN1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(CCCCc2cnc[nH]2)CC1.O=C(Nc1cccc(Cl)c1)N1CCN(CCCCc2cnc[nH]2)CC1.

What is the InChIKey of 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide?

The InChIKey is SAYVSVAYKYDJQF-DRZMBMSDSA-N. The full InChI is InChI=1S/C23H26Cl2N4.C20H26N4O.C19H24F3N5O.C19H25N5O.C18H24ClN5O.C13H23N5O/c24-20-5-1-18(2-6-20)14-28-11-12-29(15-19-3-7-21(25)8-4-19)23(16-28)10-9-22-13-26-17-27-22;25-20(10-9-18-6-2-1-3-7-18)24-14-12-23(13-15-24)11-5-4-8-19-16-21-17-22-19;20-19(21,22)15-4-6-16(7-5-15)25-18(28)27-11-9-26(10-12-27)8-2-1-3-17-13-23-14-24-17;25-19(7-6-17-4-3-8-20-14-17)24-12-10-23(11-13-24)9-2-1-5-18-15-21-16-22-18;19-15-4-3-6-16(12-15)22-18(25)24-10-8-23(9-11-24)7-2-1-5-17-13-20-14-21-17;19-13(12-9-14-6-7-16-12)17-5-3-1-2-4-11-8-15-10-18-11/h1-8,13,17,23H,9-12,14-16H2,(H,26,27);1-3,6-7,9-10,16-17H,4-5,8,11-15H2,(H,21,22);4-7,13-14H,1-3,8-12H2,(H,23,24)(H,25,28);3-4,6-8,14-16H,1-2,5,9-13H2,(H,21,22);3-4,6,12-14H,1-2,5,7-11H2,(H,20,21)(H,22,25);8,10,12,14,16H,1-7,9H2,(H,15,18)(H,17,19)/b;10-9+;;7-6+;;.

What are the key properties of 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide?

1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide has a molecular weight of 2129.96 g/mol, XLogP of 16.25, 40 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis[(4-chlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]piperazine;N-(3-chlorophenyl)-4-[4-(1H-imidazol-5-yl)butyl]piperazine-1-carboxamide;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;(E)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one;4-[4-(1H-imidazol-5-yl)butyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N-[5-(1H-imidazol-5-yl)pentyl]piperazine-2-carboxamide is sourced from PubChem (CID 160784049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).