(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C130H111Cl3F11N15O5 — CID 157335215

About (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 157335215) has the molecular formula C130H111Cl3F11N15O5 and a molecular weight of 2278.75 g/mol. Its IUPAC name is (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

• Compound Name: (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• PubChem CID: 157335215
• Molecular Formula: C130H111Cl3F11N15O5
• Molecular Weight: 2278.75 g/mol
• Exact Mass: 2275.78
• IUPAC Name: (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• SMILES: Cc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1C.Cc1ccccc1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(Cl)c2)CC3)cc1
• InChI: InChI=1S/C27H20F7N3O.C27H26FN3O.C26H24FN3O.C25H20Cl2FN3O.C25H21ClFN3O/c28-21-3-1-17(2-4-21)24-25(18-7-9-35-10-8-18)37-22(5-6-23(37)36-24)15-38-14-16-11-19(26(29,30)31)13-20(12-16)27(32,33)34;1-18-3-4-20(15-19(18)2)16-32-17-24-9-10-25-30-26(21-5-7-23(28)8-6-21)27(31(24)25)22-11-13-29-14-12-22;1-18-4-2-3-5-21(18)16-31-17-23-10-11-24-29-25(19-6-8-22(27)9-7-19)26(30(23)24)20-12-14-28-15-13-20;26-19-4-1-18(22(27)13-19)14-32-15-21-7-8-23-30-24(16-2-5-20(28)6-3-16)25(31(21)23)17-9-11-29-12-10-17;26-20-3-1-2-17(14-20)15-31-16-22-8-9-23-29-24(18-4-6-21(27)7-5-18)25(30(22)23)19-10-12-28-13-11-19/h1-4,7-13,22H,5-6,14-15H2;3-8,11-15,24H,9-10,16-17H2,1-2H3;2-9,12-15,23H,10-11,16-17H2,1H3;1-6,9-13,21H,7-8,14-15H2;1-7,10-14,22H,8-9,15-16H2/t22-;24-;23-;21-;22-/m00000/s1
• InChIKey: BFTJFRFYDVFSIA-QAXCPRSBSA-N
• XLogP: 32.20
• TPSA: 199.70 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.75
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The IUPAC name of (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 157335215) is (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

What is the SMILES notation for (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The canonical SMILES for (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is Cc1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1C.Cc1ccccc1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc(Cl)c2)CC3)cc1.

What is the InChIKey of (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

The InChIKey is BFTJFRFYDVFSIA-QAXCPRSBSA-N. The full InChI is InChI=1S/C27H20F7N3O.C27H26FN3O.C26H24FN3O.C25H20Cl2FN3O.C25H21ClFN3O/c28-21-3-1-17(2-4-21)24-25(18-7-9-35-10-8-18)37-22(5-6-23(37)36-24)15-38-14-16-11-19(26(29,30)31)13-20(12-16)27(32,33)34;1-18-3-4-20(15-19(18)2)16-32-17-24-9-10-25-30-26(21-5-7-23(28)8-6-21)27(31(24)25)22-11-13-29-14-12-22;1-18-4-2-3-5-21(18)16-31-17-23-10-11-24-29-25(19-6-8-22(27)9-7-19)26(30(23)24)20-12-14-28-15-13-20;26-19-4-1-18(22(27)13-19)14-32-15-21-7-8-23-30-24(16-2-5-20(28)6-3-16)25(31(21)23)17-9-11-29-12-10-17;26-20-3-1-2-17(14-20)15-31-16-22-8-9-23-29-24(18-4-6-21(27)7-5-18)25(30(22)23)19-10-12-28-13-11-19/h1-4,7-13,22H,5-6,14-15H2;3-8,11-15,24H,9-10,16-17H2,1-2H3;2-9,12-15,23H,10-11,16-17H2,1H3;1-6,9-13,21H,7-8,14-15H2;1-7,10-14,22H,8-9,15-16H2/t22-;24-;23-;21-;22-/m00000/s1.

What are the key properties of (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?

(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 2278.75 g/mol, XLogP of 32.20, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2,4-dichlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(3,4-dimethylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-methylphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 157335215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).