1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine

C121H150Cl5N25O2 — CID 159586533

About 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine

1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine (PubChem CID 159586533) has the molecular formula C121H150Cl5N25O2 and a molecular weight of 2163.97 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine
• PubChem CID: 159586533
• Molecular Formula: C121H150Cl5N25O2
• Molecular Weight: 2163.97 g/mol
• Exact Mass: 2160.08
• IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine
• SMILES: Clc1ccc(C(c2ccccc2)N2CCN(Cc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(CCCCCCCNCCCCc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(CCCc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1.O=C(COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCCCc1cnc[nH]1
• InChI: InChI=1S/C30H43ClN6.C28H36ClN5O2.C22H26ClN5.C21H23ClN4.C20H22ClN5/c31-27-14-12-26(13-15-27)30(29-11-5-8-18-34-29)37-22-20-36(21-23-37)19-9-3-1-2-6-16-32-17-7-4-10-28-24-33-25-35-28;29-25-11-9-24(10-12-25)28(23-6-2-1-3-7-23)34-16-14-33(15-17-34)18-19-36-21-27(35)31-13-5-4-8-26-20-30-22-32-26;23-19-8-6-18(7-9-19)22(21-5-1-2-10-25-21)28-14-12-27(13-15-28)11-3-4-20-16-24-17-26-20;22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)26-12-10-25(11-13-26)15-20-14-23-16-24-20;21-17-6-4-16(5-7-17)20(19-3-1-2-8-23-19)26-11-9-25(10-12-26)14-18-13-22-15-24-18/h5,8,11-15,18,24-25,30,32H,1-4,6-7,9-10,16-17,19-23H2,(H,33,35);1-3,6-7,9-12,20,22,28H,4-5,8,13-19,21H2,(H,30,32)(H,31,35);1-2,5-10,16-17,22H,3-4,11-15H2,(H,24,26);1-9,14,16,21H,10-13,15H2,(H,23,24);1-8,13,15,20H,9-12,14H2,(H,22,24)
• InChIKey: MJRNQALKDLLLIB-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 264.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 46
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.97
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine?

The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine (CID 159586533) is 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine.

What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine?

The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine is Clc1ccc(C(c2ccccc2)N2CCN(Cc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(CCCCCCCNCCCCc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(CCCc3cnc[nH]3)CC2)cc1.Clc1ccc(C(c2ccccn2)N2CCN(Cc3cnc[nH]3)CC2)cc1.O=C(COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCCCc1cnc[nH]1.

What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine?

The InChIKey is MJRNQALKDLLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43ClN6.C28H36ClN5O2.C22H26ClN5.C21H23ClN4.C20H22ClN5/c31-27-14-12-26(13-15-27)30(29-11-5-8-18-34-29)37-22-20-36(21-23-37)19-9-3-1-2-6-16-32-17-7-4-10-28-24-33-25-35-28;29-25-11-9-24(10-12-25)28(23-6-2-1-3-7-23)34-16-14-33(15-17-34)18-19-36-21-27(35)31-13-5-4-8-26-20-30-22-32-26;23-19-8-6-18(7-9-19)22(21-5-1-2-10-25-21)28-14-12-27(13-15-28)11-3-4-20-16-24-17-26-20;22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)26-12-10-25(11-13-26)15-20-14-23-16-24-20;21-17-6-4-16(5-7-17)20(19-3-1-2-8-23-19)26-11-9-25(10-12-26)14-18-13-22-15-24-18/h5,8,11-15,18,24-25,30,32H,1-4,6-7,9-10,16-17,19-23H2,(H,33,35);1-3,6-7,9-12,20,22,28H,4-5,8,13-19,21H2,(H,30,32)(H,31,35);1-2,5-10,16-17,22H,3-4,11-15H2,(H,24,26);1-9,14,16,21H,10-13,15H2,(H,23,24);1-8,13,15,20H,9-12,14H2,(H,22,24).

What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine?

1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine has a molecular weight of 2163.97 g/mol, XLogP of 20.79, 46 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)-phenylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-[4-(1H-imidazol-5-yl)butyl]acetamide;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-(1H-imidazol-5-ylmethyl)piperazine;1-[(4-chlorophenyl)-pyridin-2-ylmethyl]-4-[3-(1H-imidazol-5-yl)propyl]piperazine;7-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-N-[4-(1H-imidazol-5-yl)butyl]heptan-1-amine is sourced from PubChem (CID 159586533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).