4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide

C135H166Br3F11I2N26O14-2 — CID 158471170

About 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide

4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide (PubChem CID 158471170) has the molecular formula C135H166Br3F11I2N26O14-2 and a molecular weight of 3079.48 g/mol. Its IUPAC name is 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide.

Molecular Properties

• Compound Name: 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide
• PubChem CID: 158471170
• Molecular Formula: C135H166Br3F11I2N26O14-2
• Molecular Weight: 3079.48 g/mol
• Exact Mass: 3074.86
• IUPAC Name: 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide
• SMILES: CC(I)I.CCCCCN(CCCCC)c1ccc(/N=N/c2n(CCCN)cc[n+]2CCCN)cc1.CCCCCN(CCCCC)c1ccc(/N=N/c2n(CCCN3Cc4ccccc4C3)cc[n+]2CCCN2C(=O)c3ccccc3C2=O)cc1.CCCCCNCCCCC.Fc1ccc(/N=N/c2ncc[nH]2)cc1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C1c2ccccc2C(=O)N1CCCBr.O=C1c2ccccc2C(=O)N1CCCn1cc[n+](CCCN2C(=O)c3ccccc3C2=O)c1/N=N/c1ccc(F)cc1.[Br-].[Br-]
• InChI: InChI=1S/C41H52N7O2.C31H26FN6O4.C25H44N7.C11H10BrNO2.C10H23N.C9H7FN4.3C2HF3O2.C2H4I2.2BrH/c1-3-5-11-24-45(25-12-6-4-2)36-21-19-35(20-22-36)42-43-41-46(26-13-23-44-31-33-15-7-8-16-34(33)32-44)29-30-47(41)27-14-28-48-39(49)37-17-9-10-18-38(37)40(48)50;32-21-11-13-22(14-12-21)33-34-31-35(15-5-17-37-27(39)23-7-1-2-8-24(23)28(37)40)19-20-36(31)16-6-18-38-29(41)25-9-3-4-10-26(25)30(38)42;1-3-5-7-17-30(18-8-6-4-2)24-13-11-23(12-14-24)28-29-25-31(19-9-15-26)21-22-32(25)20-10-16-27;12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;1-3-5-7-9-11-10-8-6-4-2;10-7-1-3-8(4-2-7)13-14-9-11-5-6-12-9;3*3-2(4,5)1(6)7;1-2(3)4;;/h7-10,15-22,29-30H,3-6,11-14,23-28,31-32H2,1-2H3;1-4,7-14,19-20H,5-6,15-18H2;11-14,21-22H,3-10,15-20,26-27H2,1-2H3;1-2,4-5H,3,6-7H2;11H,3-10H2,1-2H3;1-6H,(H,11,12);3*(H,6,7);2H,1H3;2*1H/q3*+1;;;;;;;;;/p-5/b;;;;;14-13+
• InChIKey: VMTLACWNSZGLMS-GFACJCHNSA-I
• XLogP: 20.34
• TPSA: 497.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 59
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3079.48
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide?

The IUPAC name of 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide (CID 158471170) is 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide.

What is the SMILES notation for 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide?

The canonical SMILES for 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide is CC(I)I.CCCCCN(CCCCC)c1ccc(/N=N/c2n(CCCN)cc[n+]2CCCN)cc1.CCCCCN(CCCCC)c1ccc(/N=N/c2n(CCCN3Cc4ccccc4C3)cc[n+]2CCCN2C(=O)c3ccccc3C2=O)cc1.CCCCCNCCCCC.Fc1ccc(/N=N/c2ncc[nH]2)cc1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C1c2ccccc2C(=O)N1CCCBr.O=C1c2ccccc2C(=O)N1CCCn1cc[n+](CCCN2C(=O)c3ccccc3C2=O)c1/N=N/c1ccc(F)cc1.[Br-].[Br-].

What is the InChIKey of 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide?

The InChIKey is VMTLACWNSZGLMS-GFACJCHNSA-I. The full InChI is InChI=1S/C41H52N7O2.C31H26FN6O4.C25H44N7.C11H10BrNO2.C10H23N.C9H7FN4.3C2HF3O2.C2H4I2.2BrH/c1-3-5-11-24-45(25-12-6-4-2)36-21-19-35(20-22-36)42-43-41-46(26-13-23-44-31-33-15-7-8-16-34(33)32-44)29-30-47(41)27-14-28-48-39(49)37-17-9-10-18-38(37)40(48)50;32-21-11-13-22(14-12-21)33-34-31-35(15-5-17-37-27(39)23-7-1-2-8-24(23)28(37)40)19-20-36(31)16-6-18-38-29(41)25-9-3-4-10-26(25)30(38)42;1-3-5-7-17-30(18-8-6-4-2)24-13-11-23(12-14-24)28-29-25-31(19-9-15-26)21-22-32(25)20-10-16-27;12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;1-3-5-7-9-11-10-8-6-4-2;10-7-1-3-8(4-2-7)13-14-9-11-5-6-12-9;3*3-2(4,5)1(6)7;1-2(3)4;;/h7-10,15-22,29-30H,3-6,11-14,23-28,31-32H2,1-2H3;1-4,7-14,19-20H,5-6,15-18H2;11-14,21-22H,3-10,15-20,26-27H2,1-2H3;1-2,4-5H,3,6-7H2;11H,3-10H2,1-2H3;1-6H,(H,11,12);3*(H,6,7);2H,1H3;2*1H/q3*+1;;;;;;;;;/p-5/b;;;;;14-13+;;;;;;.

What are the key properties of 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide?

4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide has a molecular weight of 3079.48 g/mol, XLogP of 20.34, 59 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1,3-bis(3-aminopropyl)imidazol-1-ium-2-yl]diazenyl]-N,N-dipentylaniline;2-(3-bromopropyl)isoindole-1,3-dione;2-[3-[3-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-[[4-(dipentylamino)phenyl]diazenyl]imidazol-1-ium-1-yl]propyl]isoindole-1,3-dione;1,1-diiodoethane;2-[3-[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-[(4-fluorophenyl)diazenyl]imidazol-3-ium-1-yl]propyl]isoindole-1,3-dione;(4-fluorophenyl)-(1H-imidazol-2-yl)diazene;N-pentylpentan-1-amine;tris(2,2,2-trifluoroacetate);dibromide is sourced from PubChem (CID 158471170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).