ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride

C33H38Cl2N4O5 — CID 11433684

IUPACethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride
SMILESCCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl
InChIInChI=1S/C33H37ClN4O5.ClH/c1-3-43-30(40)24(2)38-31(41)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)37(32(38)42)23-27(39)22-35-18-20-36(21-19-35)29-17-11-10-16-28(29)34;/h4-17,24,27,39H,3,18-23H2,1-2H3;1H
InChIKeyJNXMTODOPPXRJB-UHFFFAOYSA-N
MW641.60 g/mol
LogP4.40
Rot. Bonds10

About ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride

ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride (PubChem CID 11433684) has the molecular formula C33H38Cl2N4O5 and a molecular weight of 641.60 g/mol. Its IUPAC name is ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride
PubChem CID11433684
Molecular FormulaC33H38Cl2N4O5
Molecular Weight641.60 g/mol
Exact Mass640.22
IUPAC Nameethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride
SMILESCCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl
InChIInChI=1S/C33H37ClN4O5.ClH/c1-3-43-30(40)24(2)38-31(41)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)37(32(38)42)23-27(39)22-35-18-20-36(21-19-35)29-17-11-10-16-28(29)34;/h4-17,24,27,39H,3,18-23H2,1-2H3;1H
InChIKeyJNXMTODOPPXRJB-UHFFFAOYSA-N
XLogP4.40
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 11342048
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
CID 57401516
1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
CID 70692417
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
1-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 42625491
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol;oxalic acid
CID 18778135
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-4-hydroxy-1-(2-methyl-5-phenyl-1-propylpyrrol-3-yl)pentan-1-one;hydrochloride
CID 160515621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?
The IUPAC name of ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride (CID 11433684) is ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride.
What is the SMILES notation for ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?
The canonical SMILES for ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride is CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(c3ccccc3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.
What is the InChIKey of ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?
The InChIKey is JNXMTODOPPXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN4O5.ClH/c1-3-43-30(40)24(2)38-31(41)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)37(32(38)42)23-27(39)22-35-18-20-36(21-19-35)29-17-11-10-16-28(29)34;/h4-17,24,27,39H,3,18-23H2,1-2H3;1H.
What are the key properties of ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?
ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride has a molecular weight of 641.60 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride is sourced from PubChem (CID 11433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).