5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

C22H24N4O5 — CID 91823187

IUPAC5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O5/c27-19(24-10-12-25(13-11-24)21(29)18-7-4-14-31-18)15-17-20(28)26(22(30)23-17)9-8-16-5-2-1-3-6-16/h1-7,14,17H,8-13,15H2,(H,23,30)
InChIKeyHTYMKVJZPRPQIN-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.12
Rot. Bonds6

About 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione

5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 91823187) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID91823187
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O5/c27-19(24-10-12-25(13-11-24)21(29)18-7-4-14-31-18)15-17-20(28)26(22(30)23-17)9-8-16-5-2-1-3-6-16/h1-7,14,17H,8-13,15H2,(H,23,30)
InChIKeyHTYMKVJZPRPQIN-UHFFFAOYSA-N
XLogP1.12
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.12
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

5-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 71705445
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 75491171
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
(5R)-3-(furan-2-ylmethyl)-5-(2-oxo-2-thiomorpholin-4-ylethyl)imidazolidine-2,4-dione
CID 124863015
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
(5R)-5-[2-oxo-2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 99871130
(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25452099
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione (CID 91823187) is 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is O=C(CC1NC(=O)N(CCc2ccccc2)C1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is HTYMKVJZPRPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c27-19(24-10-12-25(13-11-24)21(29)18-7-4-14-31-18)15-17-20(28)26(22(30)23-17)9-8-16-5-2-1-3-6-16/h1-7,14,17H,8-13,15H2,(H,23,30).
What are the key properties of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione?
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 424.46 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91823187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).