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

C128H110Cl2F9N15O6 — CID 159849472

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

(5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 159849472) has the molecular formula C128H110Cl2F9N15O6 and a molecular weight of 2196.27 g/mol. Its IUPAC name is (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

• Compound Name: (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• PubChem CID: 159849472
• Molecular Formula: C128H110Cl2F9N15O6
• Molecular Weight: 2196.27 g/mol
• Exact Mass: 2193.80
• IUPAC Name: (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• SMILES: COc1cccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)c1.Cc1ccccc1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2c(F)cccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2C(F)(F)F)CC3)cc1
• InChI: InChI=1S/C26H21F4N3O.C26H24FN3O2.C26H24FN3O.C25H20ClF2N3O.C25H21ClFN3O/c27-20-7-5-17(6-8-20)24-25(18-11-13-31-14-12-18)33-21(9-10-23(33)32-24)16-34-15-19-3-1-2-4-22(19)26(28,29)30;1-31-23-4-2-3-18(15-23)16-32-17-22-9-10-24-29-25(19-5-7-21(27)8-6-19)26(30(22)24)20-11-13-28-14-12-20;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;26-21-2-1-3-22(28)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(27)7-5-16)25(31(19)23)17-10-12-29-13-11-17;26-20-5-1-17(2-6-20)15-31-16-22-9-10-23-29-24(18-3-7-21(27)8-4-18)25(30(22)23)19-11-13-28-14-12-19/h1-8,11-14,21H,9-10,15-16H2;2-8,11-15,22H,9-10,16-17H2,1H3;2-9,12-15,23H,10-11,16-17H2,1H3;1-7,10-13,19H,8-9,14-15H2;1-8,11-14,22H,9-10,15-16H2/t21-;22-;23-;19-;22-/m00000/s1
• InChIKey: NPSYZRITUQINCC-MDHPXZOLSA-N
• XLogP: 30.06
• TPSA: 208.93 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.27
LogP ≤ 5	30.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 159849472) is (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

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

The canonical SMILES for (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1cccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)c1.Cc1ccccc1COC[C@@H]1CCc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n21.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2c(F)cccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccc(Cl)cc2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2C(F)(F)F)CC3)cc1.

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

The InChIKey is NPSYZRITUQINCC-MDHPXZOLSA-N. The full InChI is InChI=1S/C26H21F4N3O.C26H24FN3O2.C26H24FN3O.C25H20ClF2N3O.C25H21ClFN3O/c27-20-7-5-17(6-8-20)24-25(18-11-13-31-14-12-18)33-21(9-10-23(33)32-24)16-34-15-19-3-1-2-4-22(19)26(28,29)30;1-31-23-4-2-3-18(15-23)16-32-17-22-9-10-24-29-25(19-5-7-21(27)8-6-19)26(30(22)24)20-11-13-28-14-12-20;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;26-21-2-1-3-22(28)20(21)15-32-14-19-8-9-23-30-24(16-4-6-18(27)7-5-16)25(31(19)23)17-10-12-29-13-11-17;26-20-5-1-17(2-6-20)15-31-16-22-9-10-23-29-24(18-3-7-21(27)8-4-18)25(30(22)23)19-11-13-28-14-12-19/h1-8,11-14,21H,9-10,15-16H2;2-8,11-15,22H,9-10,16-17H2,1H3;2-9,12-15,23H,10-11,16-17H2,1H3;1-7,10-13,19H,8-9,14-15H2;1-8,11-14,22H,9-10,15-16H2/t21-;22-;23-;19-;22-/m00000/s1.

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

(5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 2196.27 g/mol, XLogP of 30.06, 31 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(2-chloro-6-fluorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(4-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(3-methoxyphenyl)methoxymethyl]-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)-2-(4-fluorophenyl)-3-pyridin-4-yl-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 159849472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).