3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide

C127H146Cl6IN25O5 — CID 158880542

About 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide

3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide (PubChem CID 158880542) has the molecular formula C127H146Cl6IN25O5 and a molecular weight of 2442.36 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide
• PubChem CID: 158880542
• Molecular Formula: C127H146Cl6IN25O5
• Molecular Weight: 2442.36 g/mol
• Exact Mass: 2437.91
• IUPAC Name: 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide
• SMILES: CN(CCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1.C[N+](C)(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(CC(c1ccc(Cl)cc1)c1ccccn1)NCCCCc1cnc[nH]1.O=C(CCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1.O=C(NCCC(c1ccc(Cl)cc1)c1ccccn1)OCCc1cnc[nH]1.O=C(NCCCCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1.[I-]
• InChI: InChI=1S/C23H30ClN4.C22H26ClN5O.C21H23ClN4O.C21H25ClN4.C20H21ClN4O2.C20H21ClN4O.HI/c1-28(2,15-6-4-7-21-17-25-18-27-21)16-13-22(23-8-3-5-14-26-23)19-9-11-20(24)12-10-19;23-18-9-7-17(8-10-18)20(21-6-2-4-12-25-21)11-14-27-22(29)26-13-3-1-5-19-15-24-16-28-19;22-17-9-7-16(8-10-17)19(20-6-2-4-11-24-20)13-21(27)25-12-3-1-5-18-14-23-15-26-18;1-26(13-4-5-19-15-23-16-25-19)14-11-20(21-6-2-3-12-24-21)17-7-9-18(22)10-8-17;21-16-6-4-15(5-7-16)18(19-3-1-2-10-23-19)8-11-24-20(26)27-12-9-17-13-22-14-25-17;21-16-6-4-15(5-7-16)18(19-3-1-2-11-23-19)10-12-24-20(26)9-8-17-13-22-14-25-17;/h3,5,8-12,14,17-18,22H,4,6-7,13,15-16H2,1-2H3,(H,25,27);2,4,6-10,12,15-16,20H,1,3,5,11,13-14H2,(H,24,28)(H2,26,27,29);2,4,6-11,14-15,19H,1,3,5,12-13H2,(H,23,26)(H,25,27);2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,23,25);1-7,10,13-14,18H,8-9,11-12H2,(H,22,25)(H,24,26);1-7,11,13-14,18H,8-10,12H2,(H,22,25)(H,24,26);1H/q+1;;;;;;/p-1
• InChIKey: LBIDYUQJMUTYQE-UHFFFAOYSA-M
• XLogP: 22.73
• TPSA: 390.32 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 54
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2442.36
LogP ≤ 5	22.73
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide?

The IUPAC name of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide (CID 158880542) is 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide.

What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide?

The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide is CN(CCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1.C[N+](C)(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(CC(c1ccc(Cl)cc1)c1ccccn1)NCCCCc1cnc[nH]1.O=C(CCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1.O=C(NCCC(c1ccc(Cl)cc1)c1ccccn1)OCCc1cnc[nH]1.O=C(NCCCCc1cnc[nH]1)NCCC(c1ccc(Cl)cc1)c1ccccn1.[I-].

What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide?

The InChIKey is LBIDYUQJMUTYQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H30ClN4.C22H26ClN5O.C21H23ClN4O.C21H25ClN4.C20H21ClN4O2.C20H21ClN4O.HI/c1-28(2,15-6-4-7-21-17-25-18-27-21)16-13-22(23-8-3-5-14-26-23)19-9-11-20(24)12-10-19;23-18-9-7-17(8-10-18)20(21-6-2-4-12-25-21)11-14-27-22(29)26-13-3-1-5-19-15-24-16-28-19;22-17-9-7-16(8-10-17)19(20-6-2-4-11-24-20)13-21(27)25-12-3-1-5-18-14-23-15-26-18;1-26(13-4-5-19-15-23-16-25-19)14-11-20(21-6-2-3-12-24-21)17-7-9-18(22)10-8-17;21-16-6-4-15(5-7-16)18(19-3-1-2-10-23-19)8-11-24-20(26)27-12-9-17-13-22-14-25-17;21-16-6-4-15(5-7-16)18(19-3-1-2-11-23-19)10-12-24-20(26)9-8-17-13-22-14-25-17;/h3,5,8-12,14,17-18,22H,4,6-7,13,15-16H2,1-2H3,(H,25,27);2,4,6-10,12,15-16,20H,1,3,5,11,13-14H2,(H,24,28)(H2,26,27,29);2,4,6-11,14-15,19H,1,3,5,12-13H2,(H,23,26)(H,25,27);2-3,6-10,12,15-16,20H,4-5,11,13-14H2,1H3,(H,23,25);1-7,10,13-14,18H,8-9,11-12H2,(H,22,25)(H,24,26);1-7,11,13-14,18H,8-10,12H2,(H,22,25)(H,24,26);1H/q+1;;;;;;/p-1.

What are the key properties of 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide?

3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide has a molecular weight of 2442.36 g/mol, XLogP of 22.73, 54 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]-3-pyridin-2-ylpropanamide;3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-N-methyl-3-pyridin-2-ylpropan-1-amine;[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-[4-(1H-imidazol-5-yl)butyl]-dimethylazanium;1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-[4-(1H-imidazol-5-yl)butyl]urea;N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-3-(1H-imidazol-5-yl)propanamide;2-(1H-imidazol-5-yl)ethyl N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]carbamate;iodide is sourced from PubChem (CID 158880542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).