N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

C183H207Cl2F4N31O8 — CID 160803460

About N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 160803460) has the molecular formula C183H207Cl2F4N31O8 and a molecular weight of 3115.78 g/mol. Its IUPAC name is N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 160803460
• Molecular Formula: C183H207Cl2F4N31O8
• Molecular Weight: 3115.78 g/mol
• Exact Mass: 3112.61
• IUPAC Name: N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1.CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1.CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3cccc(OC(F)(F)F)c3)CC2)c1.COc1cccc(Cn2c(NCCCN3CCC(c4cccc(NC(C)=O)c4)CC3)nc3ccccc32)c1.[C-]#[N+]c1ccc(Cn2c(NCCCN3CCC(c4cccc(NC(C)=O)c4)CC3)nc3ccccc32)cc1
• InChI: InChI=1S/C31H34F3N5O2.C31H34N6O.C31H37N5O2.2C30H34ClN5O.C30H34FN5O/c1-22(40)36-26-9-5-8-25(20-26)24-13-17-38(18-14-24)16-6-15-35-30-37-28-11-2-3-12-29(28)39(30)21-23-7-4-10-27(19-23)41-31(32,33)34;1-23(38)34-28-8-5-7-26(21-28)25-15-19-36(20-16-25)18-6-17-33-31-35-29-9-3-4-10-30(29)37(31)22-24-11-13-27(32-2)14-12-24;1-23(37)33-27-10-6-9-26(21-27)25-14-18-35(19-15-25)17-7-16-32-31-34-29-12-3-4-13-30(29)36(31)22-24-8-5-11-28(20-24)38-2;1-22(37)33-27-10-5-8-25(20-27)24-13-17-35(18-14-24)16-6-15-32-30-34-28-11-2-3-12-29(28)36(30)21-23-7-4-9-26(31)19-23;2*1-22(37)33-27-7-4-6-25(20-27)24-14-18-35(19-15-24)17-5-16-32-30-34-28-8-2-3-9-29(28)36(30)21-23-10-12-26(31)13-11-23/h2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,35,37)(H,36,40);3-5,7-14,21,25H,6,15-20,22H2,1H3,(H,33,35)(H,34,38);3-6,8-13,20-21,25H,7,14-19,22H2,1-2H3,(H,32,34)(H,33,37);2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,32,34)(H,33,37);2*2-4,6-13,20,24H,5,14-19,21H2,1H3,(H,32,34)(H,33,37)
• InChIKey: SDJQIKYKRWUQAQ-UHFFFAOYSA-N
• XLogP: 37.25
• TPSA: 395.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 56
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3115.78
LogP ≤ 5	37.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide (CID 160803460) is N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1.CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1.CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3cccc(Cl)c3)CC2)c1.CC(=O)Nc1cccc(C2CCN(CCCNc3nc4ccccc4n3Cc3cccc(OC(F)(F)F)c3)CC2)c1.COc1cccc(Cn2c(NCCCN3CCC(c4cccc(NC(C)=O)c4)CC3)nc3ccccc32)c1.[C-]#[N+]c1ccc(Cn2c(NCCCN3CCC(c4cccc(NC(C)=O)c4)CC3)nc3ccccc32)cc1.

What is the InChIKey of N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is SDJQIKYKRWUQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N5O2.C31H34N6O.C31H37N5O2.2C30H34ClN5O.C30H34FN5O/c1-22(40)36-26-9-5-8-25(20-26)24-13-17-38(18-14-24)16-6-15-35-30-37-28-11-2-3-12-29(28)39(30)21-23-7-4-10-27(19-23)41-31(32,33)34;1-23(38)34-28-8-5-7-26(21-28)25-15-19-36(20-16-25)18-6-17-33-31-35-29-9-3-4-10-30(29)37(31)22-24-11-13-27(32-2)14-12-24;1-23(37)33-27-10-6-9-26(21-27)25-14-18-35(19-15-25)17-7-16-32-31-34-29-12-3-4-13-30(29)36(31)22-24-8-5-11-28(20-24)38-2;1-22(37)33-27-10-5-8-25(20-27)24-13-17-35(18-14-24)16-6-15-32-30-34-28-11-2-3-12-29(28)36(30)21-23-7-4-9-26(31)19-23;2*1-22(37)33-27-7-4-6-25(20-27)24-14-18-35(19-15-24)17-5-16-32-30-34-28-8-2-3-9-29(28)36(30)21-23-10-12-26(31)13-11-23/h2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,35,37)(H,36,40);3-5,7-14,21,25H,6,15-20,22H2,1H3,(H,33,35)(H,34,38);3-6,8-13,20-21,25H,7,14-19,22H2,1-2H3,(H,32,34)(H,33,37);2-5,7-12,19-20,24H,6,13-18,21H2,1H3,(H,32,34)(H,33,37);2*2-4,6-13,20,24H,5,14-19,21H2,1H3,(H,32,34)(H,33,37).

What are the key properties of N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 3115.78 g/mol, XLogP of 37.25, 56 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 160803460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).