(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione

C18H15FN2O3 — CID 94815323

IUPAC(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H15FN2O3/c1-18(13-9-5-6-10-14(13)19)16(23)21(17(24)20-18)11-15(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyTXHIUCHMDCVMGQ-SFHVURJKSA-N
MW326.33 g/mol
LogP2.48
Rot. Bonds4

About (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione

(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 94815323) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
PubChem CID94815323
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H15FN2O3/c1-18(13-9-5-6-10-14(13)19)16(23)21(17(24)20-18)11-15(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyTXHIUCHMDCVMGQ-SFHVURJKSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.48
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

(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60597012
(5R)-5-(2-bromophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2711217
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 8675905
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94814483
4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione (CID 94815323) is (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2F)NC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is TXHIUCHMDCVMGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-18(13-9-5-6-10-14(13)19)16(23)21(17(24)20-18)11-15(22)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione?
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 326.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 94815323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).