(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

C18H19N3O2 — CID 95295538

IUPAC(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C)c(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)c1
InChIInChI=1S/C18H19N3O2/c1-12-7-8-13(2)14(10-12)11-21-16(22)18(3,20-17(21)23)15-6-4-5-9-19-15/h4-10H,11H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyDGWUOWCHESFAKB-SFHVURJKSA-N
MW309.37 g/mol
LogP2.67
Rot. Bonds3

About (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 95295538) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID95295538
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C)c(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)c1
InChIInChI=1S/C18H19N3O2/c1-12-7-8-13(2)14(10-12)11-21-16(22)18(3,20-17(21)23)15-6-4-5-9-19-15/h4-10H,11H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyDGWUOWCHESFAKB-SFHVURJKSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.67
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)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 56506448
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 18079330
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
(3S)-3'-[(2,5-dimethylphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2662576
5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 139004992
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 95295538) is (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is Cc1ccc(C)c(CN2C(=O)N[C@@](C)(c3ccccn3)C2=O)c1.
What is the InChIKey of (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is DGWUOWCHESFAKB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-7-8-13(2)14(10-12)11-21-16(22)18(3,20-17(21)23)15-6-4-5-9-19-15/h4-10H,11H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95295538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).