2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride

C111H126ClFN26O5 — CID 157248239

About 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride

2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride (PubChem CID 157248239) has the molecular formula C111H126ClFN26O5 and a molecular weight of 1958.86 g/mol. Its IUPAC name is 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride.

Molecular Properties

• Compound Name: 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride
• PubChem CID: 157248239
• Molecular Formula: C111H126ClFN26O5
• Molecular Weight: 1958.86 g/mol
• Exact Mass: 1957.01
• IUPAC Name: 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride
• SMILES: CC(C)(O)c1cc2ccc(N3CCC(N)C3)nc2n2c1nc1ccccc12.CC(C)(O)c1cc2ccc(NCCN3CC[C@H](F)C3)nc2n2c1nc1ccccc12.CC(C)(O)c1cc2ccc(NCC[N+](C)(C)C)nc2n2c1nc1ccccc12.CC(C)(O)c1cc2ccc(NCCn3ccnc3)nc2n2c1nc1ccccc12.CN(C)C1CCN(c2ccc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)C1.[Cl-]
• InChI: InChI=1S/C23H26FN5O.C23H27N5O.C22H22N6O.C22H28N5O.C21H23N5O.ClH/c1-23(2,30)17-13-15-7-8-20(25-10-12-28-11-9-16(24)14-28)27-21(15)29-19-6-4-3-5-18(19)26-22(17)29;1-23(2,29)17-13-15-9-10-20(27-12-11-16(14-27)26(3)4)25-21(15)28-19-8-6-5-7-18(19)24-22(17)28;1-22(2,29)16-13-15-7-8-19(24-10-12-27-11-9-23-14-27)26-20(15)28-18-6-4-3-5-17(18)25-21(16)28;1-22(2,28)16-14-15-10-11-19(23-12-13-27(3,4)5)25-20(15)26-18-9-7-6-8-17(18)24-21(16)26;1-21(2,27)15-11-13-7-8-18(25-10-9-14(22)12-25)24-19(13)26-17-6-4-3-5-16(17)23-20(15)26;/h3-8,13,16,30H,9-12,14H2,1-2H3,(H,25,27);5-10,13,16,29H,11-12,14H2,1-4H3;3-9,11,13-14,29H,10,12H2,1-2H3,(H,24,26);6-11,14,28H,12-13H2,1-5H3,(H,23,25);3-8,11,14,27H,9-10,12,22H2,1-2H3;1H/q;;;+1;;/p-1/t16-;;;;;/m0...../s1
• InChIKey: XMSXBJFJQMIHDM-KVDBKFDSSA-M
• XLogP: 13.88
• TPSA: 344.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.86
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride?

The IUPAC name of 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride (CID 157248239) is 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride.

What is the SMILES notation for 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride?

The canonical SMILES for 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride is CC(C)(O)c1cc2ccc(N3CCC(N)C3)nc2n2c1nc1ccccc12.CC(C)(O)c1cc2ccc(NCCN3CC[C@H](F)C3)nc2n2c1nc1ccccc12.CC(C)(O)c1cc2ccc(NCC[N+](C)(C)C)nc2n2c1nc1ccccc12.CC(C)(O)c1cc2ccc(NCCn3ccnc3)nc2n2c1nc1ccccc12.CN(C)C1CCN(c2ccc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)C1.[Cl-].

What is the InChIKey of 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride?

The InChIKey is XMSXBJFJQMIHDM-KVDBKFDSSA-M. The full InChI is InChI=1S/C23H26FN5O.C23H27N5O.C22H22N6O.C22H28N5O.C21H23N5O.ClH/c1-23(2,30)17-13-15-7-8-20(25-10-12-28-11-9-16(24)14-28)27-21(15)29-19-6-4-3-5-18(19)26-22(17)29;1-23(2,29)17-13-15-9-10-20(27-12-11-16(14-27)26(3)4)25-21(15)28-19-8-6-5-7-18(19)24-22(17)28;1-22(2,29)16-13-15-7-8-19(24-10-12-27-11-9-23-14-27)26-20(15)28-18-6-4-3-5-17(18)25-21(16)28;1-22(2,28)16-14-15-10-11-19(23-12-13-27(3,4)5)25-20(15)26-18-9-7-6-8-17(18)24-21(16)26;1-21(2,27)15-11-13-7-8-18(25-10-9-14(22)12-25)24-19(13)26-17-6-4-3-5-16(17)23-20(15)26;/h3-8,13,16,30H,9-12,14H2,1-2H3,(H,25,27);5-10,13,16,29H,11-12,14H2,1-4H3;3-9,11,13-14,29H,10,12H2,1-2H3,(H,24,26);6-11,14,28H,12-13H2,1-5H3,(H,23,25);3-8,11,14,27H,9-10,12,22H2,1-2H3;1H/q;;;+1;;/p-1/t16-;;;;;/m0...../s1.

What are the key properties of 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride?

2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride has a molecular weight of 1958.86 g/mol, XLogP of 13.88, 20 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-aminopyrrolidin-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[2-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;2-[[6-(2-hydroxypropan-2-yl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]amino]ethyl-trimethylazanium;2-[2-(2-imidazol-1-ylethylamino)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]propan-2-ol;chloride is sourced from PubChem (CID 157248239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).