1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione

C20H29FN4O3 — CID 54755411

IUPAC1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CN(CC[18F])C2=O)CC1
InChIInChI=1S/C20H29FN4O3/c1-28-18-7-3-2-6-17(18)23-14-12-22(13-15-23)9-4-5-10-25-19(26)16-24(11-8-21)20(25)27/h2-3,6-7H,4-5,8-16H2,1H3/i21-1
InChIKeyQTGPLFAFLAAJLN-GJQNQZCXSA-N
MW391.48 g/mol
LogP1.83
Rot. Bonds9

About 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione

1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione (PubChem CID 54755411) has the molecular formula C20H29FN4O3 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
PubChem CID54755411
Molecular FormulaC20H29FN4O3
Molecular Weight391.48 g/mol
Exact Mass391.22
IUPAC Name1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)CN(CC[18F])C2=O)CC1
InChIInChI=1S/C20H29FN4O3/c1-28-18-7-3-2-6-17(18)23-14-12-22(13-15-23)9-4-5-10-25-19(26)16-24(11-8-21)20(25)27/h2-3,6-7H,4-5,8-16H2,1H3/i21-1
InChIKeyQTGPLFAFLAAJLN-GJQNQZCXSA-N
XLogP1.83
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione;2-[4-[4-(6-(18F)fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 157062402
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
6-fluoro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10644504
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4,4,6,6-tetramethylazepan-2-one
CID 139624835
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2H-1,3-benzoxazin-4-one;dihydrochloride
CID 139612892

Frequently Asked Questions

What is the IUPAC name of 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione (CID 54755411) is 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione is COc1ccccc1N1CCN(CCCCN2C(=O)CN(CC[18F])C2=O)CC1.
What is the InChIKey of 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
The InChIKey is QTGPLFAFLAAJLN-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H29FN4O3/c1-28-18-7-3-2-6-17(18)23-14-12-22(13-15-23)9-4-5-10-25-19(26)16-24(11-8-21)20(25)27/h2-3,6-7H,4-5,8-16H2,1H3/i21-1.
What are the key properties of 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione has a molecular weight of 391.48 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-(18F)fluoroethyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 54755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).