3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine

C114H107Cl2F5N26O2+2 — CID 159415470

About 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine

3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine (PubChem CID 159415470) has the molecular formula C114H107Cl2F5N26O2+2 and a molecular weight of 2039.19 g/mol. Its IUPAC name is 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine.

Molecular Properties

• Compound Name: 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine
• PubChem CID: 159415470
• Molecular Formula: C114H107Cl2F5N26O2+2
• Molecular Weight: 2039.19 g/mol
• Exact Mass: 2036.84
• IUPAC Name: 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine
• SMILES: C[C@@H](Nc1nccc(-c2[nH]c(C3CCN(CN)CC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.NCCCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.NCCC[n+]1ccc(-[n+]2c[nH]c(-c3ccc(F)cc3)c2-c2ccnc(N)n2)cc1.NCc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1.NCc1ccc(-c2nc(-c3cccc(O)c3)c(-c3ccncc3)[nH]2)cc1
• InChI: InChI=1S/C28H30F3N7.C23H21FN4O.C21H16Cl2N4.C21H21FN7.C21H18N4O/c1-18(19-6-3-2-4-7-19)34-27-33-13-10-23(35-27)25-24(21-8-5-9-22(16-21)28(29,30)31)36-26(37-25)20-11-14-38(17-32)15-12-20;24-19-6-2-16(3-7-19)21-22(17-10-13-26-14-11-17)28-23(27-21)18-4-8-20(9-5-18)29-15-1-12-25;22-17-6-5-16(11-18(17)23)20-19(14-7-9-25-10-8-14)26-21(27-20)15-3-1-13(12-24)2-4-15;22-16-4-2-15(3-5-16)19-20(18-6-10-25-21(24)27-18)29(14-26-19)17-7-12-28(13-8-17)11-1-9-23;22-13-14-4-6-16(7-5-14)21-24-19(15-8-10-23-11-9-15)20(25-21)17-2-1-3-18(26)12-17/h2-10,13,16,18,20H,11-12,14-15,17,32H2,1H3,(H,36,37)(H,33,34,35);2-11,13-14H,1,12,15,25H2,(H,27,28);1-11H,12,24H2,(H,26,27);2-8,10,12-14H,1,9,11,23H2,(H2,24,25,27);1-12,26H,13,22H2,(H,24,25)/q;;;+1;/p+1/t18-;;;;/m1..../s1
• InChIKey: YQXGLYGPLVQYEC-HHVPYRKWSA-O
• XLogP: 21.81
• TPSA: 429.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.19
LogP ≤ 5	21.81
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine?

The IUPAC name of 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine (CID 159415470) is 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine.

What is the SMILES notation for 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine?

The canonical SMILES for 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine is C[C@@H](Nc1nccc(-c2[nH]c(C3CCN(CN)CC3)nc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.NCCCOc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.NCCC[n+]1ccc(-[n+]2c[nH]c(-c3ccc(F)cc3)c2-c2ccnc(N)n2)cc1.NCc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1.NCc1ccc(-c2nc(-c3cccc(O)c3)c(-c3ccncc3)[nH]2)cc1.

What is the InChIKey of 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine?

The InChIKey is YQXGLYGPLVQYEC-HHVPYRKWSA-O. The full InChI is InChI=1S/C28H30F3N7.C23H21FN4O.C21H16Cl2N4.C21H21FN7.C21H18N4O/c1-18(19-6-3-2-4-7-19)34-27-33-13-10-23(35-27)25-24(21-8-5-9-22(16-21)28(29,30)31)36-26(37-25)20-11-14-38(17-32)15-12-20;24-19-6-2-16(3-7-19)21-22(17-10-13-26-14-11-17)28-23(27-21)18-4-8-20(9-5-18)29-15-1-12-25;22-17-6-5-16(11-18(17)23)20-19(14-7-9-25-10-8-14)26-21(27-20)15-3-1-13(12-24)2-4-15;22-16-4-2-15(3-5-16)19-20(18-6-10-25-21(24)27-18)29(14-26-19)17-7-12-28(13-8-17)11-1-9-23;22-13-14-4-6-16(7-5-14)21-24-19(15-8-10-23-11-9-15)20(25-21)17-2-1-3-18(26)12-17/h2-10,13,16,18,20H,11-12,14-15,17,32H2,1H3,(H,36,37)(H,33,34,35);2-11,13-14H,1,12,15,25H2,(H,27,28);1-11H,12,24H2,(H,26,27);2-8,10,12-14H,1,9,11,23H2,(H2,24,25,27);1-12,26H,13,22H2,(H,24,25)/q;;;+1;/p+1/t18-;;;;/m1..../s1.

What are the key properties of 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine?

3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine has a molecular weight of 2039.19 g/mol, XLogP of 21.81, 28 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine is sourced from PubChem (CID 159415470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).