5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone

C117H128Cl6N18O4 — CID 160928442

About 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone

5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 160928442) has the molecular formula C117H128Cl6N18O4 and a molecular weight of 2063.15 g/mol. Its IUPAC name is 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

• Compound Name: 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone
• PubChem CID: 160928442
• Molecular Formula: C117H128Cl6N18O4
• Molecular Weight: 2063.15 g/mol
• Exact Mass: 2058.85
• IUPAC Name: 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone
• SMILES: Clc1ccc(C(CN2CCC(CCc3cnc[nH]3)C2)c2ccc(Cl)cc2)cc1.O=C(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCC(CCc2cnc[nH]2)C1.O=C(C(c1ccccc1)c1ccccc1)N1CCC(Cc2cnc[nH]2)CC1.O=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCC(Cc2cnc[nH]2)CC1.O=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCN(CCCCc2cnc[nH]2)CC1
• InChI: InChI=1S/C25H30ClN5O.C23H23Cl2N3O.C23H25Cl2N3.C23H25ClN4O.C23H25N3O/c26-21-9-7-20(8-10-21)23(24-6-1-3-11-28-24)17-25(32)31-15-13-30(14-16-31)12-4-2-5-22-18-27-19-29-22;24-19-6-2-17(3-7-19)22(18-4-8-20(25)9-5-18)23(29)28-12-11-16(14-28)1-10-21-13-26-15-27-21;24-20-6-2-18(3-7-20)23(19-4-8-21(25)9-5-19)15-28-12-11-17(14-28)1-10-22-13-26-16-27-22;24-19-6-4-18(5-7-19)21(22-3-1-2-10-26-22)14-23(29)28-11-8-17(9-12-28)13-20-15-25-16-27-20;27-23(26-13-11-18(12-14-26)15-21-16-24-17-25-21)22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3,6-11,18-19,23H,2,4-5,12-17H2,(H,27,29);2-9,13,15-16,22H,1,10-12,14H2,(H,26,27);2-9,13,16-17,23H,1,10-12,14-15H2,(H,26,27);1-7,10,15-17,21H,8-9,11-14H2,(H,25,27);1-10,16-18,22H,11-15H2,(H,24,25)
• InChIKey: SSYDJDWEBJWMSI-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 256.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 33
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.15
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone?

The IUPAC name of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone (CID 160928442) is 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone.

What is the SMILES notation for 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone?

The canonical SMILES for 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone is Clc1ccc(C(CN2CCC(CCc3cnc[nH]3)C2)c2ccc(Cl)cc2)cc1.O=C(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCC(CCc2cnc[nH]2)C1.O=C(C(c1ccccc1)c1ccccc1)N1CCC(Cc2cnc[nH]2)CC1.O=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCC(Cc2cnc[nH]2)CC1.O=C(CC(c1ccc(Cl)cc1)c1ccccn1)N1CCN(CCCCc2cnc[nH]2)CC1.

What is the InChIKey of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone?

The InChIKey is SSYDJDWEBJWMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O.C23H23Cl2N3O.C23H25Cl2N3.C23H25ClN4O.C23H25N3O/c26-21-9-7-20(8-10-21)23(24-6-1-3-11-28-24)17-25(32)31-15-13-30(14-16-31)12-4-2-5-22-18-27-19-29-22;24-19-6-2-17(3-7-19)22(18-4-8-20(25)9-5-18)23(29)28-12-11-16(14-28)1-10-21-13-26-15-27-21;24-20-6-2-18(3-7-20)23(19-4-8-21(25)9-5-19)15-28-12-11-17(14-28)1-10-22-13-26-16-27-22;24-19-6-4-18(5-7-19)21(22-3-1-2-10-26-22)14-23(29)28-11-8-17(9-12-28)13-20-15-25-16-27-20;27-23(26-13-11-18(12-14-26)15-21-16-24-17-25-21)22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3,6-11,18-19,23H,2,4-5,12-17H2,(H,27,29);2-9,13,15-16,22H,1,10-12,14H2,(H,26,27);2-9,13,16-17,23H,1,10-12,14-15H2,(H,26,27);1-7,10,15-17,21H,8-9,11-14H2,(H,25,27);1-10,16-18,22H,11-15H2,(H,24,25).

What are the key properties of 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone?

5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 2063.15 g/mol, XLogP of 23.76, 33 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1-[2,2-bis(4-chlorophenyl)ethyl]pyrrolidin-3-yl]ethyl]-1H-imidazole;2,2-bis(4-chlorophenyl)-1-[3-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-1-yl]ethanone;3-(4-chlorophenyl)-1-[4-[4-(1H-imidazol-5-yl)butyl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;3-(4-chlorophenyl)-1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;1-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 160928442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).