(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C17H14F3N3O2 — CID 52884048

IUPAC(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H14F3N3O2/c1-16(13-4-2-3-9-21-13)14(24)23(15(25)22-16)10-11-5-7-12(8-6-11)17(18,19)20/h2-9H,10H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyILDYOUFFULCWAH-INIZCTEOSA-N
MW349.31 g/mol
LogP3.07
Rot. Bonds3

About (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 52884048) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID52884048
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H14F3N3O2/c1-16(13-4-2-3-9-21-13)14(24)23(15(25)22-16)10-11-5-7-12(8-6-11)17(18,19)20/h2-9H,10H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyILDYOUFFULCWAH-INIZCTEOSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.07
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

4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 97021801
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 71914279
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 96521180
3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 166371620
2-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]indolizine-1-carbonitrile
CID 95309776

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 52884048) is (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is ILDYOUFFULCWAH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-16(13-4-2-3-9-21-13)14(24)23(15(25)22-16)10-11-5-7-12(8-6-11)17(18,19)20/h2-9H,10H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 349.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 52884048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).