1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione

C29H32N4O3 — CID 57401516

IUPAC1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C29H32N4O3/c1-30-27(35)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)33(28(30)36)22-26(34)21-31-17-19-32(20-18-31)25-15-9-4-10-16-25/h2-16,26,34H,17-22H2,1H3
InChIKeyTVBQOTAVNLLBSF-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.01
Rot. Bonds7

About 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione

1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 57401516) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
PubChem CID57401516
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C29H32N4O3/c1-30-27(35)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)33(28(30)36)22-26(34)21-31-17-19-32(20-18-31)25-15-9-4-10-16-25/h2-16,26,34H,17-22H2,1H3
InChIKeyTVBQOTAVNLLBSF-UHFFFAOYSA-N
XLogP3.01
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
CID 70692417
3-ethyl-1-(2-hydroxy-3-morpholin-4-ylpropyl)-5,5-diphenylimidazolidine-2,4-dione
CID 10949912
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-phenyl-3-propylpyrrolidin-2-one
CID 75170383
ethyl 2-[3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride
CID 11433684
1-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-4-phenyl-4-propylpyrrolidin-2-one
CID 53494973
2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5,6-dimethylpyrrolo[3,4-c]pyridine-1,3,4-trione
CID 10251011
5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazinane-2,4,6-trione
CID 600468
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 95342863
5-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 24845902
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione (CID 57401516) is 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione is CN1C(=O)N(CC(O)CN2CCN(c3ccccc3)CC2)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is TVBQOTAVNLLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-30-27(35)29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)33(28(30)36)22-26(34)21-31-17-19-32(20-18-31)25-15-9-4-10-16-25/h2-16,26,34H,17-22H2,1H3.
What are the key properties of 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione?
1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 484.60 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 57401516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).