ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one

C33H34N2O4 — CID 143299133

IUPACethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
SMILESCC.Cc1ccc(C(=O)CCC2NC(=O)N(c3ccccc3)C2c2ccc(-c3cccc(O)c3)cc2O)cc1
InChIInChI=1S/C31H28N2O4.C2H6/c1-20-10-12-21(13-11-20)28(35)17-16-27-30(33(31(37)32-27)24-7-3-2-4-8-24)26-15-14-23(19-29(26)36)22-6-5-9-25(34)18-22;1-2/h2-15,18-19,27,30,34,36H,16-17H2,1H3,(H,32,37);1-2H3
InChIKeyUPFXUXDSVUCOFH-UHFFFAOYSA-N
MW522.65 g/mol
LogP7.40
Rot. Bonds7

About ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one

ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one (PubChem CID 143299133) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
PubChem CID143299133
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Nameethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
SMILESCC.Cc1ccc(C(=O)CCC2NC(=O)N(c3ccccc3)C2c2ccc(-c3cccc(O)c3)cc2O)cc1
InChIInChI=1S/C31H28N2O4.C2H6/c1-20-10-12-21(13-11-20)28(35)17-16-27-30(33(31(37)32-27)24-7-3-2-4-8-24)26-15-14-23(19-29(26)36)22-6-5-9-25(34)18-22;1-2/h2-15,18-19,27,30,34,36H,16-17H2,1H3,(H,32,37);1-2H3
InChIKeyUPFXUXDSVUCOFH-UHFFFAOYSA-N
XLogP7.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 57.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2S)-1-[[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]-N-propylbenzamide
CID 44589569
4-[[(2S)-1-[[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 44589570
4-[[(2S)-1-[[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]-N-phenylbenzamide
CID 44589572
4-[[(2S)-1-[[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]-N,N-diethylbenzamide
CID 44589574
N-[2-[[2-hydroxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
CID 162661703
casiopeina II-gly
CID 144221079
N-benzyl-4-[[(2S)-1-[[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzamide
CID 44589573
N,N-diethyl-4-[1-(3-hydroxyphenyl)-3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]benzamide
CID 9829682
(4S,5R)-4-[3-(4-fluorophenyl)-3-oxopropyl]-5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-1-phenylimidazolidin-2-one
CID 57784020
(4S,5R)-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-5-[4-(3-hydroxyphenyl)-2-phenylmethoxyphenyl]-1-phenylimidazolidin-2-one
CID 57784200
(4S,5R)-5-(2,4-dihydroxyphenyl)-4-[3-(4-fluorophenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
CID 57784258
(4S,5R)-5-[4-(4-dimethoxyphosphorylphenyl)-2-hydroxyphenyl]-4-[3-(4-fluorophenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one
CID 57784377

Frequently Asked Questions

What is the IUPAC name of ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
The IUPAC name of ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one (CID 143299133) is ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one.
What is the SMILES notation for ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
The canonical SMILES for ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one is CC.Cc1ccc(C(=O)CCC2NC(=O)N(c3ccccc3)C2c2ccc(-c3cccc(O)c3)cc2O)cc1.
What is the InChIKey of ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
The InChIKey is UPFXUXDSVUCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4.C2H6/c1-20-10-12-21(13-11-20)28(35)17-16-27-30(33(31(37)32-27)24-7-3-2-4-8-24)26-15-14-23(19-29(26)36)22-6-5-9-25(34)18-22;1-2/h2-15,18-19,27,30,34,36H,16-17H2,1H3,(H,32,37);1-2H3.
What are the key properties of ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one?
ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one has a molecular weight of 522.65 g/mol, XLogP of 7.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[2-hydroxy-4-(3-hydroxyphenyl)phenyl]-4-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylimidazolidin-2-one is sourced from PubChem (CID 143299133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).