1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one

C52H57F2N11O4 — CID 157091188

About 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one

1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one (PubChem CID 157091188) has the molecular formula C52H57F2N11O4 and a molecular weight of 938.10 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one
• PubChem CID: 157091188
• Molecular Formula: C52H57F2N11O4
• Molecular Weight: 938.10 g/mol
• Exact Mass: 937.46
• IUPAC Name: 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one
• SMILES: CN1CCN(C2=CC(=O)N(c3ccc4nc[nH]c4c3)C2c2ccc(N3CCOCC3)cc2)CC1.O=C1C=C(N2CCC(F)(F)CC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1
• InChI: InChI=1S/C26H27F2N5O2.C26H30N6O2/c27-26(28)7-9-32(10-8-26)23-16-24(34)33(20-5-6-21-22(15-20)30-17-29-21)25(23)18-1-3-19(4-2-18)31-11-13-35-14-12-31;1-29-8-10-31(11-9-29)24-17-25(33)32(21-6-7-22-23(16-21)28-18-27-22)26(24)19-2-4-20(5-3-19)30-12-14-34-15-13-30/h1-6,15-17,25H,7-14H2,(H,29,30);2-7,16-18,26H,8-15H2,1H3,(H,27,28)
• InChIKey: AERKCTILQPTJJI-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 132.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.10
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one (CID 157091188) is 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one is CN1CCN(C2=CC(=O)N(c3ccc4nc[nH]c4c3)C2c2ccc(N3CCOCC3)cc2)CC1.O=C1C=C(N2CCC(F)(F)CC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.

What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one?

The InChIKey is AERKCTILQPTJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O2.C26H30N6O2/c27-26(28)7-9-32(10-8-26)23-16-24(34)33(20-5-6-21-22(15-20)30-17-29-21)25(23)18-1-3-19(4-2-18)31-11-13-35-14-12-31;1-29-8-10-31(11-9-29)24-17-25(33)32(21-6-7-22-23(16-21)28-18-27-22)26(24)19-2-4-20(5-3-19)30-12-14-34-15-13-30/h1-6,15-17,25H,7-14H2,(H,29,30);2-7,16-18,26H,8-15H2,1H3,(H,27,28).

What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one?

1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 938.10 g/mol, XLogP of 6.72, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-benzimidazol-5-yl)-3-(4,4-difluoropiperidin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-(4-methylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 157091188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).