(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione

C21H22F2N2O3 — CID 7181454

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C21H22F2N2O3/c1-13(2)15-6-4-14(5-7-15)12-25-18(26)21(3,24-20(25)27)16-8-10-17(11-9-16)28-19(22)23/h4-11,13,19H,12H2,1-3H3,(H,24,27)/t21-/m0/s1
InChIKeyPLTCCBIWQVIHFJ-NRFANRHFSA-N
MW388.41 g/mol
LogP4.38
Rot. Bonds6

About (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 7181454) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID7181454
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C21H22F2N2O3/c1-13(2)15-6-4-14(5-7-15)12-25-18(26)21(3,24-20(25)27)16-8-10-17(11-9-16)28-19(22)23/h4-11,13,19H,12H2,1-3H3,(H,24,27)/t21-/m0/s1
InChIKeyPLTCCBIWQVIHFJ-NRFANRHFSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 17404717
(5S)-3-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595850
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595987
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(3-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 56684761
methyl 4-[[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]methyl]benzoate
CID 7595709
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 47094404
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 7264902
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584855
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 97090077
3-[[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 92509722

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione (CID 7181454) is (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione is CC(C)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PLTCCBIWQVIHFJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-13(2)15-6-4-14(5-7-15)12-25-18(26)21(3,24-20(25)27)16-8-10-17(11-9-16)28-19(22)23/h4-11,13,19H,12H2,1-3H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 388.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7181454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).