(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

C14H17FN2O2 — CID 94191065

IUPAC(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@]1(C)NC(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9(2)14(3)12(18)17(13(19)16-14)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyVHKRZTGRUOWANS-AWEZNQCLSA-N
MW264.30 g/mol
LogP2.29
Rot. Bonds3

About (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 94191065) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID94191065
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@]1(C)NC(=O)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C14H17FN2O2/c1-9(2)14(3)12(18)17(13(19)16-14)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyVHKRZTGRUOWANS-AWEZNQCLSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.29
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

(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95158297
3-[1-[(3-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 51106033
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
5-(4-chlorophenyl)-5-ethyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 4881082
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43029260
(4R)-3'-[(3-fluorophenyl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 7771561
3-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 112844075
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
(3S)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
CID 95095514

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (CID 94191065) is (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@]1(C)NC(=O)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is VHKRZTGRUOWANS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(2)14(3)12(18)17(13(19)16-14)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3,(H,16,19)/t14-/m0/s1.
What are the key properties of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 264.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 94191065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).