(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C19H19FN2O2 — CID 7170894

IUPAC(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H19FN2O2/c1-19(12-11-14-5-3-2-4-6-14)17(23)22(18(24)21-19)13-15-7-9-16(20)10-8-15/h2-10H,11-13H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeySMHSQDRAYSWDRX-IBGZPJMESA-N
MW326.37 g/mol
LogP3.27
Rot. Bonds5

About (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 7170894) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID7170894
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C19H19FN2O2/c1-19(12-11-14-5-3-2-4-6-14)17(23)22(18(24)21-19)13-15-7-9-16(20)10-8-15/h2-10H,11-13H2,1H3,(H,21,24)/t19-/m0/s1
InChIKeySMHSQDRAYSWDRX-IBGZPJMESA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
CID 17402203
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170829
(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
CID 7480340
3-[(2-chlorophenyl)methyl]-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methylimidazolidine-2,4-dione
CID 55305630
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 55305649
benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 7170894) is (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is SMHSQDRAYSWDRX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-19(12-11-14-5-3-2-4-6-14)17(23)22(18(24)21-19)13-15-7-9-16(20)10-8-15/h2-10H,11-13H2,1H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 326.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7170894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).