5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

C17H14Cl2N2O2 — CID 112774880

IUPAC5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c18-13-7-6-12(14(19)9-13)10-21-16(22)15(20-17(21)23)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,23)
InChIKeyZMGXFUHJMDVUMY-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.66
Rot. Bonds4

About 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 112774880) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID112774880
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c18-13-7-6-12(14(19)9-13)10-21-16(22)15(20-17(21)23)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,23)
InChIKeyZMGXFUHJMDVUMY-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 25053747
(5R)-5-benzyl-3-[(5-fluoroquinolin-8-yl)methyl]imidazolidine-2,4-dione
CID 94782021
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione
CID 21498457
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4599471
(1R,2S,6S,7R)-4-[(2,4-dichlorophenyl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126387003
3-[(2,4-dichlorophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4272734
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
3-benzyl-5-prop-2-ynylimidazolidine-2,4-dione
CID 106509603

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (CID 112774880) is 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZMGXFUHJMDVUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-7-6-12(14(19)9-13)10-21-16(22)15(20-17(21)23)8-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,23).
What are the key properties of 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 349.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112774880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).