1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one

C122H133N25O11 — CID 162005738

IUPAC1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one
SMILESCCC1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.CN(C)C1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.O=C1C=C(N2CCCCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCNCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCOCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C26H29N5O2.C25H28N6O2.C25H27N5O3.C23H25N5O2.C23H24N4O2/c32-25-17-24(30-10-2-1-3-11-30)26(31(25)21-8-9-22-23(16-21)28-18-27-22)19-4-6-20(7-5-19)29-12-14-33-15-13-29;32-24-16-23(30-9-7-26-8-10-30)25(31(24)20-5-6-21-22(15-20)28-17-27-21)18-1-3-19(4-2-18)29-11-13-33-14-12-29;31-24-16-23(29-9-13-33-14-10-29)25(30(24)20-5-6-21-22(15-20)27-17-26-21)18-1-3-19(4-2-18)28-7-11-32-12-8-28;1-26(2)21-14-22(29)28(18-7-8-19-20(13-18)25-15-24-19)23(21)16-3-5-17(6-4-16)27-9-11-30-12-10-27;1-2-16-13-22(28)27(19-7-8-20-21(14-19)25-15-24-20)23(16)17-3-5-18(6-4-17)26-9-11-29-12-10-26/h4-9,16-18,26H,1-3,10-15H2,(H,27,28);1-6,15-17,25-26H,7-14H2,(H,27,28);1-6,15-17,25H,7-14H2,(H,26,27);3-8,13-15,23H,9-12H2,1-2H3,(H,24,25);3-8,13-15,23H,2,9-12H2,1H3,(H,24,25)
InChIKeyYSUQEJYODWJTOL-UHFFFAOYSA-N
MW2125.57 g/mol
LogP15.59
Rot. Bonds20

About 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one

1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one (PubChem CID 162005738) has the molecular formula C122H133N25O11 and a molecular weight of 2125.57 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one
PubChem CID162005738
Molecular FormulaC122H133N25O11
Molecular Weight2125.57 g/mol
Exact Mass2124.06
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one
SMILESCCC1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.CN(C)C1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.O=C1C=C(N2CCCCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCNCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCOCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C26H29N5O2.C25H28N6O2.C25H27N5O3.C23H25N5O2.C23H24N4O2/c32-25-17-24(30-10-2-1-3-11-30)26(31(25)21-8-9-22-23(16-21)28-18-27-22)19-4-6-20(7-5-19)29-12-14-33-15-13-29;32-24-16-23(30-9-7-26-8-10-30)25(31(24)20-5-6-21-22(15-20)28-17-27-21)18-1-3-19(4-2-18)29-11-13-33-14-12-29;31-24-16-23(29-9-13-33-14-10-29)25(30(24)20-5-6-21-22(15-20)27-17-26-21)18-1-3-19(4-2-18)28-7-11-32-12-8-28;1-26(2)21-14-22(29)28(18-7-8-19-20(13-18)25-15-24-19)23(21)16-3-5-17(6-4-16)27-9-11-30-12-10-27;1-2-16-13-22(28)27(19-7-8-20-21(14-19)25-15-24-20)23(16)17-3-5-18(6-4-17)26-9-11-29-12-10-26/h4-9,16-18,26H,1-3,10-15H2,(H,27,28);1-6,15-17,25-26H,7-14H2,(H,27,28);1-6,15-17,25H,7-14H2,(H,26,27);3-8,13-15,23H,9-12H2,1-2H3,(H,24,25);3-8,13-15,23H,2,9-12H2,1H3,(H,24,25)
InChIKeyYSUQEJYODWJTOL-UHFFFAOYSA-N
XLogP15.59
TPSA341.52 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002125.57
LogP ≤ 515.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one (CID 162005738) is 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one is CCC1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.CN(C)C1=CC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(N2CCOCC2)cc1.O=C1C=C(N2CCCCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCNCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1C=C(N2CCOCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one?
The InChIKey is YSUQEJYODWJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2.C25H28N6O2.C25H27N5O3.C23H25N5O2.C23H24N4O2/c32-25-17-24(30-10-2-1-3-11-30)26(31(25)21-8-9-22-23(16-21)28-18-27-22)19-4-6-20(7-5-19)29-12-14-33-15-13-29;32-24-16-23(30-9-7-26-8-10-30)25(31(24)20-5-6-21-22(15-20)28-17-27-21)18-1-3-19(4-2-18)29-11-13-33-14-12-29;31-24-16-23(29-9-13-33-14-10-29)25(30(24)20-5-6-21-22(15-20)27-17-26-21)18-1-3-19(4-2-18)28-7-11-32-12-8-28;1-26(2)21-14-22(29)28(18-7-8-19-20(13-18)25-15-24-19)23(21)16-3-5-17(6-4-16)27-9-11-30-12-10-27;1-2-16-13-22(28)27(19-7-8-20-21(14-19)25-15-24-20)23(16)17-3-5-18(6-4-17)26-9-11-29-12-10-26/h4-9,16-18,26H,1-3,10-15H2,(H,27,28);1-6,15-17,25-26H,7-14H2,(H,27,28);1-6,15-17,25H,7-14H2,(H,26,27);3-8,13-15,23H,9-12H2,1-2H3,(H,24,25);3-8,13-15,23H,2,9-12H2,1H3,(H,24,25).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one?
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one has a molecular weight of 2125.57 g/mol, XLogP of 15.59, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 162005738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).