2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone

C124H136F4N20O10 — CID 158312932

About 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone

2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone (PubChem CID 158312932) has the molecular formula C124H136F4N20O10 and a molecular weight of 2142.57 g/mol. Its IUPAC name is 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone
• PubChem CID: 158312932
• Molecular Formula: C124H136F4N20O10
• Molecular Weight: 2142.57 g/mol
• Exact Mass: 2141.07
• IUPAC Name: 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone
• SMILES: CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1.CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1.CN(Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.CN(Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C32H36FN5O2.C31H34FN5O3.C31H34FN5O2.C30H32FN5O3/c1-36(28-13-16-37(17-14-28)21-25-5-3-2-4-6-25)22-29-20-35-32(30-19-26(11-15-34-30)31(40)23-39)38(29)18-12-24-7-9-27(33)10-8-24;1-35(20-24-4-8-27(9-5-24)36-14-16-40-17-15-36)21-28-19-34-31(29-18-25(10-12-33-29)30(39)22-38)37(28)13-11-23-2-6-26(32)7-3-23;1-35(27-13-16-36(17-14-27)21-24-5-3-2-4-6-24)22-28-20-34-30(29-19-25(31(38)39)11-15-33-29)37(28)18-12-23-7-9-26(32)10-8-23;1-34(20-23-4-8-26(9-5-23)35-14-16-39-17-15-35)21-27-19-33-29(28-18-24(30(37)38)10-12-32-28)36(27)13-11-22-2-6-25(31)7-3-22/h2-11,15,19-20,28,39H,12-14,16-18,21-23H2,1H3;2-10,12,18-19,38H,11,13-17,20-22H2,1H3;2-11,15,19-20,27H,12-14,16-18,21-22H2,1H3,(H,38,39);2-10,12,18-19H,11,13-17,20-21H2,1H3,(H,37,38)
• InChIKey: GNWZBZKPJNFAPQ-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 316.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 42
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.57
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?

The IUPAC name of 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone (CID 158312932) is 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone.

What is the SMILES notation for 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?

The canonical SMILES for 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone is CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1.CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1.CN(Cc1cnc(-c2cc(C(=O)CO)ccn2)n1CCc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.CN(Cc1cnc(-c2cc(C(=O)O)ccn2)n1CCc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?

The InChIKey is GNWZBZKPJNFAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O2.C31H34FN5O3.C31H34FN5O2.C30H32FN5O3/c1-36(28-13-16-37(17-14-28)21-25-5-3-2-4-6-25)22-29-20-35-32(30-19-26(11-15-34-30)31(40)23-39)38(29)18-12-24-7-9-27(33)10-8-24;1-35(20-24-4-8-27(9-5-24)36-14-16-40-17-15-36)21-28-19-34-31(29-18-25(10-12-33-29)30(39)22-38)37(28)13-11-23-2-6-26(32)7-3-23;1-35(27-13-16-36(17-14-27)21-24-5-3-2-4-6-24)22-28-20-34-30(29-19-25(31(38)39)11-15-33-29)37(28)18-12-23-7-9-26(32)10-8-23;1-34(20-23-4-8-26(9-5-23)35-14-16-39-17-15-35)21-27-19-33-29(28-18-24(30(37)38)10-12-32-28)36(27)13-11-22-2-6-25(31)7-3-22/h2-11,15,19-20,28,39H,12-14,16-18,21-23H2,1H3;2-10,12,18-19,38H,11,13-17,20-22H2,1H3;2-11,15,19-20,27H,12-14,16-18,21-22H2,1H3,(H,38,39);2-10,12,18-19H,11,13-17,20-21H2,1H3,(H,37,38).

What are the key properties of 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone?

2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone has a molecular weight of 2142.57 g/mol, XLogP of 18.18, 42 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[5-[[(1-benzylpiperidin-4-yl)-methylamino]methyl]-1-[2-(4-fluorophenyl)ethyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone is sourced from PubChem (CID 158312932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).