(5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C124H109F5N20O9 — CID 159645927

About (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 159645927) has the molecular formula C124H109F5N20O9 and a molecular weight of 2118.36 g/mol. Its IUPAC name is (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

• Compound Name: (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• PubChem CID: 159645927
• Molecular Formula: C124H109F5N20O9
• Molecular Weight: 2118.36 g/mol
• Exact Mass: 2116.86
• IUPAC Name: (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• SMILES: Cc1c(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cccc1[N+](=O)[O-].Cc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1[N+](=O)[O-].Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccn2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccnc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccncc2)CC3)cc1
• InChI: InChI=1S/2C26H23FN4O3.3C24H21FN4O/c1-17-2-3-18(14-23(17)31(32)33)15-34-16-22-8-9-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-10-12-28-13-11-20;1-17-20(3-2-4-23(17)31(32)33)15-34-16-22-9-10-24-29-25(18-5-7-21(27)8-6-18)26(30(22)24)19-11-13-28-14-12-19;25-20-3-1-18(2-4-20)23-24(19-9-13-27-14-10-19)29-21(5-6-22(29)28-23)16-30-15-17-7-11-26-12-8-17;25-20-5-3-18(4-6-20)23-24(19-9-12-26-13-10-19)29-21(7-8-22(29)28-23)16-30-15-17-2-1-11-27-14-17;25-19-6-4-17(5-7-19)23-24(18-10-13-26-14-11-18)29-21(8-9-22(29)28-23)16-30-15-20-3-1-2-12-27-20/h2-7,10-14,22H,8-9,15-16H2,1H3;2-8,11-14,22H,9-10,15-16H2,1H3;1-4,7-14,21H,5-6,15-16H2;1-6,9-14,21H,7-8,15-16H2;1-7,10-14,21H,8-9,15-16H2/t2*22-;3*21-/m00000/s1
• InChIKey: MQYNGHBZBXZLOJ-HCJVOGTESA-N
• XLogP: 25.89
• TPSA: 324.65 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.36
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The IUPAC name of (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 159645927) is (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

What is the SMILES notation for (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The canonical SMILES for (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cc1c(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cccc1[N+](=O)[O-].Cc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1[N+](=O)[O-].Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccn2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccnc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccncc2)CC3)cc1.

What is the InChIKey of (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The InChIKey is MQYNGHBZBXZLOJ-HCJVOGTESA-N. The full InChI is InChI=1S/2C26H23FN4O3.3C24H21FN4O/c1-17-2-3-18(14-23(17)31(32)33)15-34-16-22-8-9-24-29-25(19-4-6-21(27)7-5-19)26(30(22)24)20-10-12-28-13-11-20;1-17-20(3-2-4-23(17)31(32)33)15-34-16-22-9-10-24-29-25(18-5-7-21(27)8-6-18)26(30(22)24)19-11-13-28-14-12-19;25-20-3-1-18(2-4-20)23-24(19-9-13-27-14-10-19)29-21(5-6-22(29)28-23)16-30-15-17-7-11-26-12-8-17;25-20-5-3-18(4-6-20)23-24(19-9-12-26-13-10-19)29-21(7-8-22(29)28-23)16-30-15-17-2-1-11-27-14-17;25-19-6-4-17(5-7-19)23-24(18-10-13-26-14-11-18)29-21(8-9-22(29)28-23)16-30-15-20-3-1-2-12-27-20/h2-7,10-14,22H,8-9,15-16H2,1H3;2-8,11-14,22H,9-10,15-16H2,1H3;1-4,7-14,21H,5-6,15-16H2;1-6,9-14,21H,7-8,15-16H2;1-7,10-14,21H,8-9,15-16H2/t2*22-;3*21-/m00000/s1.

What are the key properties of (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

(5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 2118.36 g/mol, XLogP of 25.89, 32 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(4-fluorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(4-methyl-3-nitrophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 159645927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).