(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C20H21FN2O4 — CID 7565514

IUPAC(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H21FN2O4/c1-20(13-14-5-3-4-6-17(14)26-2)18(24)23(19(25)22-20)11-12-27-16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyMPBWAOIUYNGJDF-FQEVSTJZSA-N
MW372.40 g/mol
LogP2.77
Rot. Bonds7

About (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7565514) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID7565514
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C[C@]1(C)NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H21FN2O4/c1-20(13-14-5-3-4-6-17(14)26-2)18(24)23(19(25)22-20)11-12-27-16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyMPBWAOIUYNGJDF-FQEVSTJZSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 7565514) is (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccccc1C[C@]1(C)NC(=O)N(CCOc2ccc(F)cc2)C1=O.
What is the InChIKey of (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MPBWAOIUYNGJDF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-20(13-14-5-3-4-6-17(14)26-2)18(24)23(19(25)22-20)11-12-27-16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 372.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(4-fluorophenoxy)ethyl]-5-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7565514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).