3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione

C23H26FN3O4 — CID 10238108

IUPAC3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc(N2CC(=O)N(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H26FN3O4/c1-30-20-9-8-18(15-21(20)31-13-12-25-10-3-2-4-11-25)26-16-22(28)27(23(26)29)19-7-5-6-17(24)14-19/h5-9,14-15H,2-4,10-13,16H2,1H3
InChIKeyLJQKHXHTFSUMRK-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.67
Rot. Bonds7

About 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione

3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 10238108) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID10238108
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc(N2CC(=O)N(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H26FN3O4/c1-30-20-9-8-18(15-21(20)31-13-12-25-10-3-2-4-11-25)26-16-22(28)27(23(26)29)19-7-5-6-17(24)14-19/h5-9,14-15H,2-4,10-13,16H2,1H3
InChIKeyLJQKHXHTFSUMRK-UHFFFAOYSA-N
XLogP3.67
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione (CID 10238108) is 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione is COc1ccc(N2CC(=O)N(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is LJQKHXHTFSUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c1-30-20-9-8-18(15-21(20)31-13-12-25-10-3-2-4-11-25)26-16-22(28)27(23(26)29)19-7-5-6-17(24)14-19/h5-9,14-15H,2-4,10-13,16H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione?
3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 427.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10238108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).