N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine

C144H232F2N36O — CID 158193302

About N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine

N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine (PubChem CID 158193302) has the molecular formula C144H232F2N36O and a molecular weight of 2521.69 g/mol. Its IUPAC name is N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine
• PubChem CID: 158193302
• Molecular Formula: C144H232F2N36O
• Molecular Weight: 2521.69 g/mol
• Exact Mass: 2519.92
• IUPAC Name: N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine
• SMILES: CC(C)CNCCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1.COc1ccc2nc(NCCCN3CCN(CCCN(CC(C)C)CC(C)C)CC3)[nH]c2c1.Cc1ccc2nc(NCCCN3CCN(CCCN(CC(C)C)CC(C)C)CC3)[nH]c2c1.Fc1ccc(CNCCCCN2CCN(CCCCNCc3ccc(F)cc3)CC2)cc1.c1ccc2[nH]c(NCCCN3CCN(CCCN4CCCC4)CC3)nc2c1.c1ccc2[nH]c(NCCCN3CCN(CCCNc4nc5ccccc5[nH]4)CC3)nc2c1
• InChI: InChI=1S/C26H38F2N4.C26H46N6O.C26H46N6.C24H32N8.C21H34N6.C21H36N6/c27-25-9-5-23(6-10-25)21-29-13-1-3-15-31-17-19-32(20-18-31)16-4-2-14-30-22-24-7-11-26(28)12-8-24;1-21(2)19-32(20-22(3)4)13-7-12-31-16-14-30(15-17-31)11-6-10-27-26-28-24-9-8-23(33-5)18-25(24)29-26;1-21(2)19-32(20-22(3)4)13-7-12-31-16-14-30(15-17-31)11-6-10-27-26-28-24-9-8-23(5)18-25(24)29-26;1-2-8-20-19(7-1)27-23(28-20)25-11-5-13-31-15-17-32(18-16-31)14-6-12-26-24-29-21-9-3-4-10-22(21)30-24;1-2-8-20-19(7-1)23-21(24-20)22-9-5-12-26-15-17-27(18-16-26)14-6-13-25-10-3-4-11-25;1-18(2)17-22-9-5-11-26-13-15-27(16-14-26)12-6-10-23-21-24-19-7-3-4-8-20(19)25-21/h5-12,29-30H,1-4,13-22H2;8-9,18,21-22H,6-7,10-17,19-20H2,1-5H3,(H2,27,28,29);8-9,18,21-22H,6-7,10-17,19-20H2,1-5H3,(H2,27,28,29);1-4,7-10H,5-6,11-18H2,(H2,25,27,28)(H2,26,29,30);1-2,7-8H,3-6,9-18H2,(H2,22,23,24);3-4,7-8,18,22H,5-6,9-17H2,1-2H3,(H2,23,24,25)
• InChIKey: GAALAQSDGLCDQM-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 338.18 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 31
• Rotatable Bonds: 71
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.69
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine?

The IUPAC name of N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine (CID 158193302) is N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine.

What is the SMILES notation for N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine?

The canonical SMILES for N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine is CC(C)CNCCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1.COc1ccc2nc(NCCCN3CCN(CCCN(CC(C)C)CC(C)C)CC3)[nH]c2c1.Cc1ccc2nc(NCCCN3CCN(CCCN(CC(C)C)CC(C)C)CC3)[nH]c2c1.Fc1ccc(CNCCCCN2CCN(CCCCNCc3ccc(F)cc3)CC2)cc1.c1ccc2[nH]c(NCCCN3CCN(CCCN4CCCC4)CC3)nc2c1.c1ccc2[nH]c(NCCCN3CCN(CCCNc4nc5ccccc5[nH]4)CC3)nc2c1.

What is the InChIKey of N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine?

The InChIKey is GAALAQSDGLCDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38F2N4.C26H46N6O.C26H46N6.C24H32N8.C21H34N6.C21H36N6/c27-25-9-5-23(6-10-25)21-29-13-1-3-15-31-17-19-32(20-18-31)16-4-2-14-30-22-24-7-11-26(28)12-8-24;1-21(2)19-32(20-22(3)4)13-7-12-31-16-14-30(15-17-31)11-6-10-27-26-28-24-9-8-23(33-5)18-25(24)29-26;1-21(2)19-32(20-22(3)4)13-7-12-31-16-14-30(15-17-31)11-6-10-27-26-28-24-9-8-23(5)18-25(24)29-26;1-2-8-20-19(7-1)27-23(28-20)25-11-5-13-31-15-17-32(18-16-31)14-6-12-26-24-29-21-9-3-4-10-22(21)30-24;1-2-8-20-19(7-1)23-21(24-20)22-9-5-12-26-15-17-27(18-16-26)14-6-13-25-10-3-4-11-25;1-18(2)17-22-9-5-11-26-13-15-27(16-14-26)12-6-10-23-21-24-19-7-3-4-8-20(19)25-21/h5-12,29-30H,1-4,13-22H2;8-9,18,21-22H,6-7,10-17,19-20H2,1-5H3,(H2,27,28,29);8-9,18,21-22H,6-7,10-17,19-20H2,1-5H3,(H2,27,28,29);1-4,7-10H,5-6,11-18H2,(H2,25,27,28)(H2,26,29,30);1-2,7-8H,3-6,9-18H2,(H2,22,23,24);3-4,7-8,18,22H,5-6,9-17H2,1-2H3,(H2,23,24,25).

What are the key properties of N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine?

N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine has a molecular weight of 2521.69 g/mol, XLogP of 20.76, 71 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[3-(1H-benzimidazol-2-ylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methoxy-1H-benzimidazol-2-amine;N-[3-[4-[3-[bis(2-methylpropyl)amino]propyl]piperazin-1-yl]propyl]-6-methyl-1H-benzimidazol-2-amine;N-[(4-fluorophenyl)methyl]-4-[4-[4-[(4-fluorophenyl)methylamino]butyl]piperazin-1-yl]butan-1-amine;N-[3-[4-[3-(2-methylpropylamino)propyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-amine;N-[3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 158193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).