2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one

C34H30N4O4S2 — CID 139224958

IUPAC2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2O)N1c1cccc(CN2CCN=C2c2cccc(N3C(=O)CSC3c3ccccc3O)c2)c1
InChIInChI=1S/C34H30N4O4S2/c39-28-13-3-1-11-26(28)33-37(30(41)20-43-33)24-9-5-7-22(17-24)19-36-16-15-35-32(36)23-8-6-10-25(18-23)38-31(42)21-44-34(38)27-12-2-4-14-29(27)40/h1-14,17-18,33-34,39-40H,15-16,19-21H2
InChIKeyQOQFOYURPKWUON-UHFFFAOYSA-N
MW622.77 g/mol
LogP5.92
Rot. Bonds7

About 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one

2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one (PubChem CID 139224958) has the molecular formula C34H30N4O4S2 and a molecular weight of 622.77 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one
PubChem CID139224958
Molecular FormulaC34H30N4O4S2
Molecular Weight622.77 g/mol
Exact Mass622.17
IUPAC Name2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2O)N1c1cccc(CN2CCN=C2c2cccc(N3C(=O)CSC3c3ccccc3O)c2)c1
InChIInChI=1S/C34H30N4O4S2/c39-28-13-3-1-11-26(28)33-37(30(41)20-43-33)24-9-5-7-22(17-24)19-36-16-15-35-32(36)23-8-6-10-25(18-23)38-31(42)21-44-34(38)27-12-2-4-14-29(27)40/h1-14,17-18,33-34,39-40H,15-16,19-21H2
InChIKeyQOQFOYURPKWUON-UHFFFAOYSA-N
XLogP5.92
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-(2-chlorophenyl)-3-[3-[[2-[3-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one
CID 139224957
3-chloro-1-[3-[[2-[3-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-4-[4-(dimethylamino)phenyl]azetidin-2-one
CID 139224942
2-naphthalen-1-yl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5233456
2-(2-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 24796558
3-phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
2-(3-hydroxyphenyl)-3-(4-morpholin-4-ylphenyl)-1,3-thiazolidin-4-one
CID 10360916
3-[2-(3-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 3288401
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 982381
4-tert-butyl-N-[4-[(2R)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93128045
2-[2-[hydroxy(oxido)amino]phenyl]-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]-1,3-thiazolidin-4-one
CID 21143285
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 135439612

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one (CID 139224958) is 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2O)N1c1cccc(CN2CCN=C2c2cccc(N3C(=O)CSC3c3ccccc3O)c2)c1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one?
The InChIKey is QOQFOYURPKWUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O4S2/c39-28-13-3-1-11-26(28)33-37(30(41)20-43-33)24-9-5-7-22(17-24)19-36-16-15-35-32(36)23-8-6-10-25(18-23)38-31(42)21-44-34(38)27-12-2-4-14-29(27)40/h1-14,17-18,33-34,39-40H,15-16,19-21H2.
What are the key properties of 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one?
2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one has a molecular weight of 622.77 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-[3-[[2-[3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]-4,5-dihydroimidazol-1-yl]methyl]phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 139224958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).