1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione

C112H145F5N18O11 — CID 159294123

About 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione

1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione (PubChem CID 159294123) has the molecular formula C112H145F5N18O11 and a molecular weight of 2014.50 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione
• PubChem CID: 159294123
• Molecular Formula: C112H145F5N18O11
• Molecular Weight: 2014.50 g/mol
• Exact Mass: 2013.13
• IUPAC Name: 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione
• SMILES: CCC1CCCCC1C(=O)N[C@H](c1ncc(-c2ccc(C)cc2)[nH]1)C(C)(C)C.Cc1ccc(-c2cnc([C@@H](NC(=O)C3CCCCC3CO)C(C)(C)C)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H]3C[C@@H](O)CN3C(=O)C(=O)N3CCC(C)(F)CC3)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H]3C[C@@H](O)CN3C(=O)C(=O)N3CCC(F)(F)CC3)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H]3C[C@H](C)CN3C(=O)C(=O)N3CCC(F)(F)CC3)[nH]2)cc1
• InChI: InChI=1S/C24H35N3O.C23H33N3O2.C22H26F2N4O2.C22H27FN4O3.C21H24F2N4O3/c1-6-17-9-7-8-10-19(17)23(28)27-21(24(3,4)5)22-25-15-20(26-22)18-13-11-16(2)12-14-18;1-15-9-11-16(12-10-15)19-13-24-21(25-19)20(23(2,3)4)26-22(28)18-8-6-5-7-17(18)14-27;1-14-3-5-16(6-4-14)17-12-25-19(26-17)18-11-15(2)13-28(18)21(30)20(29)27-9-7-22(23,24)8-10-27;1-14-3-5-15(6-4-14)17-12-24-19(25-17)18-11-16(28)13-27(18)21(30)20(29)26-9-7-22(2,23)8-10-26;1-13-2-4-14(5-3-13)16-11-24-18(25-16)17-10-15(28)12-27(17)20(30)19(29)26-8-6-21(22,23)7-9-26/h11-15,17,19,21H,6-10H2,1-5H3,(H,25,26)(H,27,28);9-13,17-18,20,27H,5-8,14H2,1-4H3,(H,24,25)(H,26,28);3-6,12,15,18H,7-11,13H2,1-2H3,(H,25,26);3-6,12,16,18,28H,7-11,13H2,1-2H3,(H,24,25);2-5,11,15,17,28H,6-10,12H2,1H3,(H,24,25)/t17?,19?,21-;17?,18?,20-;15-,18-;16-,18+;15-,17+/m11011/s1
• InChIKey: LAMOLSKQRJQNOR-APHUYDPOSA-N
• XLogP: 18.39
• TPSA: 384.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2014.50
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione?

The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione (CID 159294123) is 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione.

What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione?

The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione is CCC1CCCCC1C(=O)N[C@H](c1ncc(-c2ccc(C)cc2)[nH]1)C(C)(C)C.Cc1ccc(-c2cnc([C@@H](NC(=O)C3CCCCC3CO)C(C)(C)C)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H]3C[C@@H](O)CN3C(=O)C(=O)N3CCC(C)(F)CC3)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H]3C[C@@H](O)CN3C(=O)C(=O)N3CCC(F)(F)CC3)[nH]2)cc1.Cc1ccc(-c2cnc([C@@H]3C[C@H](C)CN3C(=O)C(=O)N3CCC(F)(F)CC3)[nH]2)cc1.

What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione?

The InChIKey is LAMOLSKQRJQNOR-APHUYDPOSA-N. The full InChI is InChI=1S/C24H35N3O.C23H33N3O2.C22H26F2N4O2.C22H27FN4O3.C21H24F2N4O3/c1-6-17-9-7-8-10-19(17)23(28)27-21(24(3,4)5)22-25-15-20(26-22)18-13-11-16(2)12-14-18;1-15-9-11-16(12-10-15)19-13-24-21(25-19)20(23(2,3)4)26-22(28)18-8-6-5-7-17(18)14-27;1-14-3-5-16(6-4-14)17-12-25-19(26-17)18-11-15(2)13-28(18)21(30)20(29)27-9-7-22(23,24)8-10-27;1-14-3-5-15(6-4-14)17-12-24-19(25-17)18-11-16(28)13-27(18)21(30)20(29)26-9-7-22(2,23)8-10-26;1-13-2-4-14(5-3-13)16-11-24-18(25-16)17-10-15(28)12-27(17)20(30)19(29)26-8-6-21(22,23)7-9-26/h11-15,17,19,21H,6-10H2,1-5H3,(H,25,26)(H,27,28);9-13,17-18,20,27H,5-8,14H2,1-4H3,(H,24,25)(H,26,28);3-6,12,15,18H,7-11,13H2,1-2H3,(H,25,26);3-6,12,16,18,28H,7-11,13H2,1-2H3,(H,24,25);2-5,11,15,17,28H,6-10,12H2,1H3,(H,24,25)/t17?,19?,21-;17?,18?,20-;15-,18-;16-,18+;15-,17+/m11011/s1.

What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione?

1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione has a molecular weight of 2014.50 g/mol, XLogP of 18.39, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;1-(4,4-difluoropiperidin-1-yl)-2-[(2S,4S)-4-methyl-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-ethylcyclohexane-1-carboxamide;N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-2-(hydroxymethyl)cyclohexane-1-carboxamide;1-(4-fluoro-4-methylpiperidin-1-yl)-2-[(2S,4R)-4-hydroxy-2-[5-(4-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 159294123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).