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

C108H96ClF5N12O4 — CID 159814003

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

(5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 159814003) has the molecular formula C108H96ClF5N12O4 and a molecular weight of 1756.48 g/mol. Its IUPAC name is (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

• Compound Name: (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• PubChem CID: 159814003
• Molecular Formula: C108H96ClF5N12O4
• Molecular Weight: 1756.48 g/mol
• Exact Mass: 1754.73
• IUPAC Name: (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
• SMILES: CC(C)(C)c1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc4ccccc24)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2F)CC3)cc1
• InChI: InChI=1S/C29H24FN3O.C29H30FN3O.C25H21ClFN3O.C25H21F2N3O/c30-24-10-8-21(9-11-24)28-29(22-14-16-31-17-15-22)33-25(12-13-27(33)32-28)19-34-18-23-6-3-5-20-4-1-2-7-26(20)23;1-29(2,3)23-8-4-20(5-9-23)18-34-19-25-12-13-26-32-27(21-6-10-24(30)11-7-21)28(33(25)26)22-14-16-31-17-15-22;26-22-4-2-1-3-19(22)15-31-16-21-9-10-23-29-24(17-5-7-20(27)8-6-17)25(30(21)23)18-11-13-28-14-12-18;26-20-7-5-17(6-8-20)24-25(18-11-13-28-14-12-18)30-21(9-10-23(30)29-24)16-31-15-19-3-1-2-4-22(19)27/h1-11,14-17,25H,12-13,18-19H2;4-11,14-17,25H,12-13,18-19H2,1-3H3;2*1-8,11-14,21H,9-10,15-16H2/t2*25-;2*21-/m0000/s1
• InChIKey: NLJPCJBYJLTYEY-WYUCUOJRSA-N
• XLogP: 25.06
• TPSA: 159.76 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.48
LogP ≤ 5	25.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 159814003) is (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

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

The canonical SMILES for (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CC(C)(C)c1ccc(COC[C@@H]2CCc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n32)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2cccc4ccccc24)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2Cl)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccncc2)[C@H](COCc2ccccc2F)CC3)cc1.

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

The InChIKey is NLJPCJBYJLTYEY-WYUCUOJRSA-N. The full InChI is InChI=1S/C29H24FN3O.C29H30FN3O.C25H21ClFN3O.C25H21F2N3O/c30-24-10-8-21(9-11-24)28-29(22-14-16-31-17-15-22)33-25(12-13-27(33)32-28)19-34-18-23-6-3-5-20-4-1-2-7-26(20)23;1-29(2,3)23-8-4-20(5-9-23)18-34-19-25-12-13-26-32-27(21-6-10-24(30)11-7-21)28(33(25)26)22-14-16-31-17-15-22;26-22-4-2-1-3-19(22)15-31-16-21-9-10-23-29-24(17-5-7-20(27)8-6-17)25(30(21)23)18-11-13-28-14-12-18;26-20-7-5-17(6-8-20)24-25(18-11-13-28-14-12-18)30-21(9-10-23(30)29-24)16-31-15-19-3-1-2-4-22(19)27/h1-11,14-17,25H,12-13,18-19H2;4-11,14-17,25H,12-13,18-19H2,1-3H3;2*1-8,11-14,21H,9-10,15-16H2/t2*25-;2*21-/m0000/s1.

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

(5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 1756.48 g/mol, XLogP of 25.06, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-tert-butylphenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-5-[(2-chlorophenyl)methoxymethyl]-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-[(2-fluorophenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(5S)-2-(4-fluorophenyl)-5-(naphthalen-1-ylmethoxymethyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 159814003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).