4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione

C130H117N15O16 — CID 157258811

IUPAC4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione
SMILESC=C1C=C(CC2CN(c3ccccc3)CCN2c2cccc(O)c2)C(=O)C1.C=C1C=C(c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.O=C1C=C(Cc2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)C1.O=C1C=C(Cc2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.O=C1C=C(c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)C1.O=C1CC(C2CN(c3ccccc3)CCN2c2cccc(O)c2)C(=O)N1
InChIInChI=1S/C23H24N2O2.C22H19N3O3.2C22H18N2O3.C21H17N3O2.C20H21N3O3/c1-17-12-18(23(27)13-17)14-21-16-24(19-6-3-2-4-7-19)10-11-25(21)20-8-5-9-22(26)15-20;26-18-8-4-7-16(9-18)13-25-14-23-19(10-15-5-2-1-3-6-15)20(25)11-17-12-21(27)24-22(17)28;25-18-8-4-5-15(9-18)13-24-14-23-22(16-6-2-1-3-7-16)20(24)11-17-10-19(26)12-21(17)27;25-17-8-4-7-16(9-17)13-24-14-23-20(10-15-5-2-1-3-6-15)22(24)19-11-18(26)12-21(19)27;1-14-10-18(21(26)23-14)20-19(16-7-3-2-4-8-16)22-13-24(20)12-15-6-5-9-17(25)11-15;24-16-8-4-7-15(11-16)23-10-9-22(14-5-2-1-3-6-14)13-18(23)17-12-19(25)21-20(17)26/h2-9,12,15,21,26H,1,10-11,13-14,16H2;1-9,12,14,26H,10-11,13H2,(H,24,27,28);1-10,14,25H,11-13H2;1-9,11,14,25H,10,12-13H2;2-11,13,25H,1,12H2,(H,23,26);1-8,11,17-18,24H,9-10,12-13H2,(H,21,25,26)
InChIKeyAXFDNSKRURSGPS-UHFFFAOYSA-N
MW2145.45 g/mol
LogP17.83
Rot. Bonds27

About 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione

4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione (PubChem CID 157258811) has the molecular formula C130H117N15O16 and a molecular weight of 2145.45 g/mol. Its IUPAC name is 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione
PubChem CID157258811
Molecular FormulaC130H117N15O16
Molecular Weight2145.45 g/mol
Exact Mass2143.88
IUPAC Name4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione
SMILESC=C1C=C(CC2CN(c3ccccc3)CCN2c2cccc(O)c2)C(=O)C1.C=C1C=C(c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.O=C1C=C(Cc2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)C1.O=C1C=C(Cc2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.O=C1C=C(c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)C1.O=C1CC(C2CN(c3ccccc3)CCN2c2cccc(O)c2)C(=O)N1
InChIInChI=1S/C23H24N2O2.C22H19N3O3.2C22H18N2O3.C21H17N3O2.C20H21N3O3/c1-17-12-18(23(27)13-17)14-21-16-24(19-6-3-2-4-7-19)10-11-25(21)20-8-5-9-22(26)15-20;26-18-8-4-7-16(9-18)13-25-14-23-19(10-15-5-2-1-3-6-15)20(25)11-17-12-21(27)24-22(17)28;25-18-8-4-5-15(9-18)13-24-14-23-22(16-6-2-1-3-7-16)20(24)11-17-10-19(26)12-21(17)27;25-17-8-4-7-16(9-17)13-24-14-23-20(10-15-5-2-1-3-6-15)22(24)19-11-18(26)12-21(19)27;1-14-10-18(21(26)23-14)20-19(16-7-3-2-4-8-16)22-13-24(20)12-15-6-5-9-17(25)11-15;24-16-8-4-7-15(11-16)23-10-9-22(14-5-2-1-3-6-14)13-18(23)17-12-19(25)21-20(17)26/h2-9,12,15,21,26H,1,10-11,13-14,16H2;1-9,12,14,26H,10-11,13H2,(H,24,27,28);1-10,14,25H,11-13H2;1-9,11,14,25H,10,12-13H2;2-11,13,25H,1,12H2,(H,23,26);1-8,11,17-18,24H,9-10,12-13H2,(H,21,25,26)
InChIKeyAXFDNSKRURSGPS-UHFFFAOYSA-N
XLogP17.83
TPSA412.41 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.45
LogP ≤ 517.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione (CID 157258811) is 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione is C=C1C=C(CC2CN(c3ccccc3)CCN2c2cccc(O)c2)C(=O)C1.C=C1C=C(c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.O=C1C=C(Cc2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)C1.O=C1C=C(Cc2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.O=C1C=C(c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)C1.O=C1CC(C2CN(c3ccccc3)CCN2c2cccc(O)c2)C(=O)N1.
What is the InChIKey of 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is AXFDNSKRURSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2.C22H19N3O3.2C22H18N2O3.C21H17N3O2.C20H21N3O3/c1-17-12-18(23(27)13-17)14-21-16-24(19-6-3-2-4-7-19)10-11-25(21)20-8-5-9-22(26)15-20;26-18-8-4-7-16(9-18)13-25-14-23-19(10-15-5-2-1-3-6-15)20(25)11-17-12-21(27)24-22(17)28;25-18-8-4-5-15(9-18)13-24-14-23-22(16-6-2-1-3-7-16)20(24)11-17-10-19(26)12-21(17)27;25-17-8-4-7-16(9-17)13-24-14-23-20(10-15-5-2-1-3-6-15)22(24)19-11-18(26)12-21(19)27;1-14-10-18(21(26)23-14)20-19(16-7-3-2-4-8-16)22-13-24(20)12-15-6-5-9-17(25)11-15;24-16-8-4-7-15(11-16)23-10-9-22(14-5-2-1-3-6-14)13-18(23)17-12-19(25)21-20(17)26/h2-9,12,15,21,26H,1,10-11,13-14,16H2;1-9,12,14,26H,10-11,13H2,(H,24,27,28);1-10,14,25H,11-13H2;1-9,11,14,25H,10,12-13H2;2-11,13,25H,1,12H2,(H,23,26);1-8,11,17-18,24H,9-10,12-13H2,(H,21,25,26).
What are the key properties of 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione?
4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 2145.45 g/mol, XLogP of 17.83, 27 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]cyclopent-4-ene-1,3-dione;3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methyl]pyrrole-2,5-dione;4-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]cyclopent-4-ene-1,3-dione;3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]-4-methylidenecyclopent-2-en-1-one;3-[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 157258811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).