(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride

C25H31ClN4O4 — CID 158616434

IUPAC(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride
SMILESCOc1cccc(/C=C2\NC(=O)N(CCCN3CCN(c4ccccc4OC)CC3)C2=O)c1.Cl
InChIInChI=1S/C25H30N4O4.ClH/c1-32-20-8-5-7-19(17-20)18-21-24(30)29(25(31)26-21)12-6-11-27-13-15-28(16-14-27)22-9-3-4-10-23(22)33-2;/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,26,31);1H/b21-18-;
InChIKeyHXLHYRNWSDLTKW-WIPIHYDQSA-N
MW487.00 g/mol
LogP3.23
Rot. Bonds8

About (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride

(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 158616434) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID158616434
Molecular FormulaC25H31ClN4O4
Molecular Weight487.00 g/mol
Exact Mass486.20
IUPAC Name(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride
SMILESCOc1cccc(/C=C2\NC(=O)N(CCCN3CCN(c4ccccc4OC)CC3)C2=O)c1.Cl
InChIInChI=1S/C25H30N4O4.ClH/c1-32-20-8-5-7-19(17-20)18-21-24(30)29(25(31)26-21)12-6-11-27-13-15-28(16-14-27)22-9-3-4-10-23(22)33-2;/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,26,31);1H/b21-18-;
InChIKeyHXLHYRNWSDLTKW-WIPIHYDQSA-N
XLogP3.23
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050342
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
(5E)-3-(3-chloropropyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050374
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 70686183
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 10692180
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
CID 70688227
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863
1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 54755411
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride (CID 158616434) is (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride is COc1cccc(/C=C2\NC(=O)N(CCCN3CCN(c4ccccc4OC)CC3)C2=O)c1.Cl.
What is the InChIKey of (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is HXLHYRNWSDLTKW-WIPIHYDQSA-N. The full InChI is InChI=1S/C25H30N4O4.ClH/c1-32-20-8-5-7-19(17-20)18-21-24(30)29(25(31)26-21)12-6-11-27-13-15-28(16-14-27)22-9-3-4-10-23(22)33-2;/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,26,31);1H/b21-18-;.
What are the key properties of (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride?
(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 487.00 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 158616434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).