1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

C18H16F3N3O2 — CID 167753380

IUPAC1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2CC(=O)N(c3cnc(C(F)(F)F)cc3C)C2=O)cc1
InChIInChI=1S/C18H16F3N3O2/c1-11-3-5-13(6-4-11)9-23-10-16(25)24(17(23)26)14-8-22-15(7-12(14)2)18(19,20)21/h3-8H,9-10H2,1-2H3
InChIKeyQAPYOBQCSRGQRG-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.69
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione

1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 167753380) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID167753380
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2CC(=O)N(c3cnc(C(F)(F)F)cc3C)C2=O)cc1
InChIInChI=1S/C18H16F3N3O2/c1-11-3-5-13(6-4-11)9-23-10-16(25)24(17(23)26)14-8-22-15(7-12(14)2)18(19,20)21/h3-8H,9-10H2,1-2H3
InChIKeyQAPYOBQCSRGQRG-UHFFFAOYSA-N
XLogP3.69
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 91653245
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
2-chloro-5-methyl-8-[[2-(trifluoromethyl)-6,7-dihydro-5H-imidazo[2,1-a][2]benzazepin-9-yl]methyl]-7H-pteridin-6-one
CID 170650173
1-[[4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one
CID 157436234
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione;ethane
CID 143767126
1-(2,4-dimethylphenyl)-3-(pyridin-4-ylmethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 19781657
4-benzyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4-diazepan-5-one
CID 24733018
1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 87457281
N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide
CID 166233909
1,7,13-tris(3-aminopropyl)-4,10,16-tris[(4-methylphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 71746155
1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435255
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171996026

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 167753380) is 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is Cc1ccc(CN2CC(=O)N(c3cnc(C(F)(F)F)cc3C)C2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is QAPYOBQCSRGQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-11-3-5-13(6-4-11)9-23-10-16(25)24(17(23)26)14-8-22-15(7-12(14)2)18(19,20)21/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 363.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 167753380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).