3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C14H17BrN2O2 — CID 4880629

IUPAC3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-9(2)6-12-13(18)17(14(19)16-12)8-10-4-3-5-11(15)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,19)
InChIKeyRAVAVWMBVLYQTD-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.92
Rot. Bonds4

About 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 4880629) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID4880629
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-9(2)6-12-13(18)17(14(19)16-12)8-10-4-3-5-11(15)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,19)
InChIKeyRAVAVWMBVLYQTD-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 4880629) is 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1NC(=O)N(Cc2cccc(Br)c2)C1=O.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is RAVAVWMBVLYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(2)6-12-13(18)17(14(19)16-12)8-10-4-3-5-11(15)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,19).
What are the key properties of 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 325.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4880629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).