3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

C24H29ClN4O4 — CID 3021913

IUPAC3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCC(O)CN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1.Cl
InChIInChI=1S/C24H28N4O4.ClH/c1-18(29)16-26-12-14-27(15-13-26)21(30)17-28-22(31)24(25-23(28)32,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11,18,29H,12-17H2,1H3,(H,25,32);1H
InChIKeyIOXHKZAHSAIMFC-UHFFFAOYSA-N
MW472.97 g/mol
LogP1.43
Rot. Bonds6

About 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride

3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (PubChem CID 3021913) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
PubChem CID3021913
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Name3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
SMILESCC(O)CN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1.Cl
InChIInChI=1S/C24H28N4O4.ClH/c1-18(29)16-26-12-14-27(15-13-26)21(30)17-28-22(31)24(25-23(28)32,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11,18,29H,12-17H2,1H3,(H,25,32);1H
InChIKeyIOXHKZAHSAIMFC-UHFFFAOYSA-N
XLogP1.43
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride (CID 3021913) is 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is CC(O)CN1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1.Cl.
What is the InChIKey of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is IOXHKZAHSAIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4.ClH/c1-18(29)16-26-12-14-27(15-13-26)21(30)17-28-22(31)24(25-23(28)32,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11,18,29H,12-17H2,1H3,(H,25,32);1H.
What are the key properties of 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride?
3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 472.97 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3021913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).