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

C15H18N2O4 — CID 84602746

IUPAC1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C15H18N2O4/c1-3-4-8-16-13(18)14(19)17(15(16)20)10-11-6-5-7-12(9-11)21-2/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyDTINCJXGWVNZEA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.79
Rot. Bonds6

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

1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 84602746) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID84602746
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCCCCN1C(=O)C(=O)N(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C15H18N2O4/c1-3-4-8-16-13(18)14(19)17(15(16)20)10-11-6-5-7-12(9-11)21-2/h5-7,9H,3-4,8,10H2,1-2H3
InChIKeyDTINCJXGWVNZEA-UHFFFAOYSA-N
XLogP1.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 60581705
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 24577195
7,18-bis[(3-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 20661232
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
3-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]benzonitrile
CID 8626667
1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738319
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
1-methoxy-3-nonadecylbenzene
CID 154507578
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
1-methoxy-3-propylbenzene
CID 14270128
1-(2-methylpropyl)-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 60604194

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (CID 84602746) is 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is CCCCN1C(=O)C(=O)N(Cc2cccc(OC)c2)C1=O.
What is the InChIKey of 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is DTINCJXGWVNZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-4-8-16-13(18)14(19)17(15(16)20)10-11-6-5-7-12(9-11)21-2/h5-7,9H,3-4,8,10H2,1-2H3.
What are the key properties of 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 290.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 84602746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).