N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline

C116H113F4N25O7 — CID 161381375

About N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline

N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline (PubChem CID 161381375) has the molecular formula C116H113F4N25O7 and a molecular weight of 2045.34 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline.

Molecular Properties

• Compound Name: N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
• PubChem CID: 161381375
• Molecular Formula: C116H113F4N25O7
• Molecular Weight: 2045.34 g/mol
• Exact Mass: 2043.92
• IUPAC Name: N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline
• SMILES: CCCCCCCCOc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1.Fc1ccc(-c2nc3n(c2-c2ccnc(NCc4ccccc4)n2)C(COc2ccc4ccccc4n2)CC3)cc1
• InChI: InChI=1S/C34H36FN5O2.C33H27FN6O.C25H26FN7O2.C24H24FN7O2/c1-2-3-4-5-6-9-22-41-34-36-21-20-29(38-34)33-32(25-12-15-26(35)16-13-25)39-30-18-17-27(40(30)33)23-42-31-19-14-24-10-7-8-11-28(24)37-31;34-25-13-10-24(11-14-25)31-32(28-18-19-35-33(38-28)36-20-22-6-2-1-3-7-22)40-26(15-16-29(40)39-31)21-41-30-17-12-23-8-4-5-9-27(23)37-30;1-3-13-27-25-28-14-12-19(29-25)24-23(16-4-6-17(26)7-5-16)30-20-9-8-18(33(20)24)15-35-22-11-10-21(34-2)31-32-22;1-3-26-24-27-13-12-18(28-24)23-22(15-4-6-16(25)7-5-15)29-19-9-8-17(32(19)23)14-34-21-11-10-20(33-2)30-31-21/h7-8,10-16,19-21,27H,2-6,9,17-18,22-23H2,1H3;1-14,17-19,26H,15-16,20-21H2,(H,35,36,38);4-7,10-12,14,18H,3,8-9,13,15H2,1-2H3,(H,27,28,29);4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,26,27,28)
• InChIKey: VRTNFSIZMRVOFD-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 352.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.34
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?

The IUPAC name of N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline (CID 161381375) is N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline.

What is the SMILES notation for N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?

The canonical SMILES for N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline is CCCCCCCCOc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc4ccccc4n2)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ccc(OC)nn2)CC3)n1.Fc1ccc(-c2nc3n(c2-c2ccnc(NCc4ccccc4)n2)C(COc2ccc4ccccc4n2)CC3)cc1.

What is the InChIKey of N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?

The InChIKey is VRTNFSIZMRVOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN5O2.C33H27FN6O.C25H26FN7O2.C24H24FN7O2/c1-2-3-4-5-6-9-22-41-34-36-21-20-29(38-34)33-32(25-12-15-26(35)16-13-25)39-30-18-17-27(40(30)33)23-42-31-19-14-24-10-7-8-11-28(24)37-31;34-25-13-10-24(11-14-25)31-32(28-18-19-35-33(38-28)36-20-22-6-2-1-3-7-22)40-26(15-16-29(40)39-31)21-41-30-17-12-23-8-4-5-9-27(23)37-30;1-3-13-27-25-28-14-12-19(29-25)24-23(16-4-6-17(26)7-5-16)30-20-9-8-18(33(20)24)15-35-22-11-10-21(34-2)31-32-22;1-3-26-24-27-13-12-18(28-24)23-22(15-4-6-16(25)7-5-15)29-19-9-8-17(32(19)23)14-34-21-11-10-20(33-2)30-31-21/h7-8,10-16,19-21,27H,2-6,9,17-18,22-23H2,1H3;1-14,17-19,26H,15-16,20-21H2,(H,35,36,38);4-7,10-12,14,18H,3,8-9,13,15H2,1-2H3,(H,27,28,29);4-7,10-13,17H,3,8-9,14H2,1-2H3,(H,26,27,28).

What are the key properties of N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline?

N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline has a molecular weight of 2045.34 g/mol, XLogP of 23.15, 38 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[2-(4-fluorophenyl)-5-(quinolin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-(2-octoxypyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]quinoline is sourced from PubChem (CID 161381375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).