1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione

C19H18FN3O4 — CID 9241351

IUPAC1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CN(C)Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H18FN3O4/c1-21(11-13-3-5-14(20)6-4-13)12-22-17(24)18(25)23(19(22)26)15-7-9-16(27-2)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyYUIIATFKOGBMBI-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.22
Rot. Bonds6

About 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione

1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione (PubChem CID 9241351) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
PubChem CID9241351
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(N2C(=O)C(=O)N(CN(C)Cc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C19H18FN3O4/c1-21(11-13-3-5-14(20)6-4-13)12-22-17(24)18(25)23(19(22)26)15-7-9-16(27-2)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyYUIIATFKOGBMBI-UHFFFAOYSA-N
XLogP2.22
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7491794
N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888662
(5S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 9170689
(3aS,7aS)-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11918745
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
1-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CID 8597408
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
(4-tert-butylphenyl)methyl-[[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9244393
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
1-(4-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
CID 8597515

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione (CID 9241351) is 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione is COc1ccc(N2C(=O)C(=O)N(CN(C)Cc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
The InChIKey is YUIIATFKOGBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-21(11-13-3-5-14(20)6-4-13)12-22-17(24)18(25)23(19(22)26)15-7-9-16(27-2)10-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione?
1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione has a molecular weight of 371.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 9241351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).