3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione

C14H17BrN2O3 — CID 60673988

IUPAC3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2ccc(OC)c(Br)c2)C1=O
InChIInChI=1S/C14H17BrN2O3/c1-3-4-11-13(18)17(14(19)16-11)8-9-5-6-12(20-2)10(15)7-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyQZQQEALAFNLBAS-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.68
Rot. Bonds5

About 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione

3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 60673988) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID60673988
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2ccc(OC)c(Br)c2)C1=O
InChIInChI=1S/C14H17BrN2O3/c1-3-4-11-13(18)17(14(19)16-11)8-9-5-6-12(20-2)10(15)7-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,19)
InChIKeyQZQQEALAFNLBAS-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65344315
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64879602
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8627201
(5S)-3-[(3-ethoxy-4-nitrophenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 100631649
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
3-[(4-amino-2-bromophenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 54918793
3-[(4-amino-3-nitrophenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 62207137
1-[(3-bromo-4-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873863
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124906590
N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
CID 75498380
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione (CID 60673988) is 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2ccc(OC)c(Br)c2)C1=O.
What is the InChIKey of 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is QZQQEALAFNLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-3-4-11-13(18)17(14(19)16-11)8-9-5-6-12(20-2)10(15)7-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,19).
What are the key properties of 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 341.21 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 60673988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).