(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione

C19H17F3N2O4 — CID 2443513

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H17F3N2O4/c1-19(12-2-6-15(7-3-12)28-17(21)22)16(25)24(18(26)23-19)10-11-27-14-8-4-13(20)5-9-14/h2-9,17H,10-11H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyYHSAIOREFPPUIN-IBGZPJMESA-N
MW394.35 g/mol
LogP3.27
Rot. Bonds7

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

(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2443513) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
PubChem CID2443513
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H17F3N2O4/c1-19(12-2-6-15(7-3-12)28-17(21)22)16(25)24(18(26)23-19)10-11-27-14-8-4-13(20)5-9-14/h2-9,17H,10-11H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyYHSAIOREFPPUIN-IBGZPJMESA-N
XLogP3.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46615775
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 56684439
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
phenyl 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]ethanesulfonate
CID 46796670
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 17404717

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione (CID 2443513) is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CCOc2ccc(F)cc2)C1=O.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is YHSAIOREFPPUIN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-19(12-2-6-15(7-3-12)28-17(21)22)16(25)24(18(26)23-19)10-11-27-14-8-4-13(20)5-9-14/h2-9,17H,10-11H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 394.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2443513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).