(3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one

C150H152N18O14 — CID 157389133

IUPAC(3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one
SMILESO=C1CCC/C1=C/C1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1CCCC1CC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1CCCC1c1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCC/C1=C\c1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCC/C1=C\c1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCCC1Cc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCCC1c1c(Cc2ccccc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C22H21N3O2.C22H26N2O2.C22H24N2O2.C21H21N3O2.C21H19N3O2.C21H21N3O2.C21H20N2O2/c26-19-8-4-7-17(11-19)14-25-15-24-20(12-16-5-2-1-3-6-16)21(25)13-18-9-10-23-22(18)27;2*25-21-10-5-9-19(15-21)24-13-12-23(18-7-2-1-3-8-18)16-20(24)14-17-6-4-11-22(17)26;2*25-18-8-4-5-15(11-18)13-24-14-23-20(16-6-2-1-3-7-16)19(24)12-17-9-10-22-21(17)26;25-17-8-4-7-16(11-17)13-24-14-23-19(12-15-5-2-1-3-6-15)20(24)18-9-10-22-21(18)26;24-17-9-4-6-15(12-17)13-23-14-22-20(16-7-2-1-3-8-16)21(23)18-10-5-11-19(18)25/h1-8,11,13,15,26H,9-10,12,14H2,(H,23,27);1-3,5,7-10,15,17,20,25H,4,6,11-14,16H2;1-3,5,7-10,14-15,20,25H,4,6,11-13,16H2;1-8,11,14,17,25H,9-10,12-13H2,(H,22,26);1-8,11-12,14,25H,9-10,13H2,(H,22,26);1-8,11,14,18,25H,9-10,12-13H2,(H,22,26);1-4,6-9,12,14,18,24H,5,10-11,13H2/b18-13+;;17-14-;;17-12+;;
InChIKeyBLUDBXKMNLPZJX-DDFIRIKBSA-N
MW2430.98 g/mol
LogP23.91
Rot. Bonds30

About (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one

(3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one (PubChem CID 157389133) has the molecular formula C150H152N18O14 and a molecular weight of 2430.98 g/mol. Its IUPAC name is (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one
PubChem CID157389133
Molecular FormulaC150H152N18O14
Molecular Weight2430.98 g/mol
Exact Mass2429.17
IUPAC Name(3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one
SMILESO=C1CCC/C1=C/C1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1CCCC1CC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1CCCC1c1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCC/C1=C\c1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCC/C1=C\c1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCCC1Cc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCCC1c1c(Cc2ccccc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C22H21N3O2.C22H26N2O2.C22H24N2O2.C21H21N3O2.C21H19N3O2.C21H21N3O2.C21H20N2O2/c26-19-8-4-7-17(11-19)14-25-15-24-20(12-16-5-2-1-3-6-16)21(25)13-18-9-10-23-22(18)27;2*25-21-10-5-9-19(15-21)24-13-12-23(18-7-2-1-3-8-18)16-20(24)14-17-6-4-11-22(17)26;2*25-18-8-4-5-15(11-18)13-24-14-23-20(16-6-2-1-3-7-16)19(24)12-17-9-10-22-21(17)26;25-17-8-4-7-16(11-17)13-24-14-23-19(12-15-5-2-1-3-6-15)20(24)18-9-10-22-21(18)26;24-17-9-4-6-15(12-17)13-23-14-22-20(16-7-2-1-3-8-16)21(23)18-10-5-11-19(18)25/h1-8,11,13,15,26H,9-10,12,14H2,(H,23,27);1-3,5,7-10,15,17,20,25H,4,6,11-14,16H2;1-3,5,7-10,14-15,20,25H,4,6,11-13,16H2;1-8,11,14,17,25H,9-10,12-13H2,(H,22,26);1-8,11-12,14,25H,9-10,13H2,(H,22,26);1-8,11,14,18,25H,9-10,12-13H2,(H,22,26);1-4,6-9,12,14,18,24H,5,10-11,13H2/b18-13+;;17-14-;;17-12+;;
InChIKeyBLUDBXKMNLPZJX-DDFIRIKBSA-N
XLogP23.91
TPSA411.28 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002430.98
LogP ≤ 523.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one?
The IUPAC name of (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one (CID 157389133) is (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one.
What is the SMILES notation for (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one?
The canonical SMILES for (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one is O=C1CCC/C1=C/C1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1CCCC1CC1CN(c2ccccc2)CCN1c1cccc(O)c1.O=C1CCCC1c1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCC/C1=C\c1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCC/C1=C\c1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCCC1Cc1c(-c2ccccc2)ncn1Cc1cccc(O)c1.O=C1NCCC1c1c(Cc2ccccc2)ncn1Cc1cccc(O)c1.
What is the InChIKey of (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one?
The InChIKey is BLUDBXKMNLPZJX-DDFIRIKBSA-N. The full InChI is InChI=1S/C22H21N3O2.C22H26N2O2.C22H24N2O2.C21H21N3O2.C21H19N3O2.C21H21N3O2.C21H20N2O2/c26-19-8-4-7-17(11-19)14-25-15-24-20(12-16-5-2-1-3-6-16)21(25)13-18-9-10-23-22(18)27;2*25-21-10-5-9-19(15-21)24-13-12-23(18-7-2-1-3-8-18)16-20(24)14-17-6-4-11-22(17)26;2*25-18-8-4-5-15(11-18)13-24-14-23-20(16-6-2-1-3-7-16)19(24)12-17-9-10-22-21(17)26;25-17-8-4-7-16(11-17)13-24-14-23-19(12-15-5-2-1-3-6-15)20(24)18-9-10-22-21(18)26;24-17-9-4-6-15(12-17)13-23-14-22-20(16-7-2-1-3-8-16)21(23)18-10-5-11-19(18)25/h1-8,11,13,15,26H,9-10,12,14H2,(H,23,27);1-3,5,7-10,15,17,20,25H,4,6,11-14,16H2;1-3,5,7-10,14-15,20,25H,4,6,11-13,16H2;1-8,11,14,17,25H,9-10,12-13H2,(H,22,26);1-8,11-12,14,25H,9-10,13H2,(H,22,26);1-8,11,14,18,25H,9-10,12-13H2,(H,22,26);1-4,6-9,12,14,18,24H,5,10-11,13H2/b18-13+;;17-14-;;17-12+;;.
What are the key properties of (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one?
(3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one has a molecular weight of 2430.98 g/mol, XLogP of 23.91, 30 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]methylidene]pyrrolidin-2-one;3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]pyrrolidin-2-one;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]cyclopentan-1-one;(3E)-3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methylidene]pyrrolidin-2-one;3-[[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]methyl]pyrrolidin-2-one;2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methyl]cyclopentan-1-one;(2Z)-2-[[1-(3-hydroxyphenyl)-4-phenylpiperazin-2-yl]methylidene]cyclopentan-1-one is sourced from PubChem (CID 157389133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).