3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione

C14H16BrClN2O2 — CID 119038354

IUPAC3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
SMILESCC(C)(C)C1NC(=O)N(Cc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C14H16BrClN2O2/c1-14(2,3)11-12(19)18(13(20)17-11)7-8-4-5-9(16)6-10(8)15/h4-6,11H,7H2,1-3H3,(H,17,20)
InChIKeyDCHUJNSXZUVUAP-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.57
Rot. Bonds2

About 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione

3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione (PubChem CID 119038354) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
PubChem CID119038354
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
SMILESCC(C)(C)C1NC(=O)N(Cc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C14H16BrClN2O2/c1-14(2,3)11-12(19)18(13(20)17-11)7-8-4-5-9(16)6-10(8)15/h4-6,11H,7H2,1-3H3,(H,17,20)
InChIKeyDCHUJNSXZUVUAP-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.57
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

(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
CID 100761174
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 54918793
3-[(2,4-dichlorophenyl)methyl]-5-(1-methylsulfanylethyl)imidazolidine-2,4-dione
CID 21498457
(5S)-5-tert-butyl-3-[(3-pyrazol-1-ylphenyl)methyl]imidazolidine-2,4-dione
CID 75472637
1-[(2-bromophenyl)methyl]-3-tert-butylpiperazine-2,5-dione
CID 64880775
3-tert-butyl-1-(3-chlorophenyl)-6-ethylpiperazine-2,5-dione
CID 64961220
3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902457
3-tert-butyl-1-[(4-chlorophenyl)methyl]piperazine-2,5-dione
CID 64880952
1-[(5-bromo-2-fluorophenyl)methyl]-3-tert-butylpiperazine-2,5-dione
CID 64880408
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione (CID 119038354) is 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione is CC(C)(C)C1NC(=O)N(Cc2ccc(Cl)cc2Br)C1=O.
What is the InChIKey of 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
The InChIKey is DCHUJNSXZUVUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-14(2,3)11-12(19)18(13(20)17-11)7-8-4-5-9(16)6-10(8)15/h4-6,11H,7H2,1-3H3,(H,17,20).
What are the key properties of 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione has a molecular weight of 359.65 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione is sourced from PubChem (CID 119038354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).