5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

C19H26FN3O2S — CID 126462350

IUPAC5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCSCCCN1CCC(C2(Cc3ccccc3F)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H26FN3O2S/c1-26-12-4-9-23-10-7-15(8-11-23)19(17(24)21-18(25)22-19)13-14-5-2-3-6-16(14)20/h2-3,5-6,15H,4,7-13H2,1H3,(H2,21,22,24,25)
InChIKeyNHIWHUDVMWNWDY-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.41
Rot. Bonds7

About 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 126462350) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID126462350
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC Name5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCSCCCN1CCC(C2(Cc3ccccc3F)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H26FN3O2S/c1-26-12-4-9-23-10-7-15(8-11-23)19(17(24)21-18(25)22-19)13-14-5-2-3-6-16(14)20/h2-3,5-6,15H,4,7-13H2,1H3,(H2,21,22,24,25)
InChIKeyNHIWHUDVMWNWDY-UHFFFAOYSA-N
XLogP2.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 126462350) is 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is CSCCCN1CCC(C2(Cc3ccccc3F)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is NHIWHUDVMWNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-26-12-4-9-23-10-7-15(8-11-23)19(17(24)21-18(25)22-19)13-14-5-2-3-6-16(14)20/h2-3,5-6,15H,4,7-13H2,1H3,(H2,21,22,24,25).
What are the key properties of 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 379.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 126462350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).