1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione

C23H28N4O3 — CID 70510416

IUPAC1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione
SMILESCCCCc1cc(N2CC(=O)NC2=O)ccc1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H28N4O3/c1-2-3-4-17-15-19(27-16-22(29)24-23(27)30)7-10-21(17)26-13-11-25(12-14-26)18-5-8-20(28)9-6-18/h5-10,15,28H,2-4,11-14,16H2,1H3,(H,24,29,30)
InChIKeyLNARAGDUVBRBNQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.12
Rot. Bonds6

About 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione

1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 70510416) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione
PubChem CID70510416
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione
SMILESCCCCc1cc(N2CC(=O)NC2=O)ccc1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H28N4O3/c1-2-3-4-17-15-19(27-16-22(29)24-23(27)30)7-10-21(17)26-13-11-25(12-14-26)18-5-8-20(28)9-6-18/h5-10,15,28H,2-4,11-14,16H2,1H3,(H,24,29,30)
InChIKeyLNARAGDUVBRBNQ-UHFFFAOYSA-N
XLogP3.12
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

R 68151
CID 132150
[4-[[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184989
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921
4-benzyl-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 68341722
N-(cyclohexylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4881488
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8007471
1-(4-Hydroxy-phenyl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
CID 10696766
N-(4-hydroxyphenyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 122184998
1-(2,3-Dihydroindol-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8690884
N-[(tert-butylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
CID 2086382
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2124466
N-(benzylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2454527

Frequently Asked Questions

What is the IUPAC name of 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione (CID 70510416) is 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione is CCCCc1cc(N2CC(=O)NC2=O)ccc1N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is LNARAGDUVBRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-2-3-4-17-15-19(27-16-22(29)24-23(27)30)7-10-21(17)26-13-11-25(12-14-26)18-5-8-20(28)9-6-18/h5-10,15,28H,2-4,11-14,16H2,1H3,(H,24,29,30).
What are the key properties of 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione?
1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 408.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-butyl-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70510416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).