3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C20H21BrN2O4 — CID 17499260

IUPAC3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(O)COc3cccc(Br)c3)C(=O)C2C)cc1
InChIInChI=1S/C20H21BrN2O4/c1-13-6-8-16(9-7-13)23-14(2)19(25)22(20(23)26)11-17(24)12-27-18-5-3-4-15(21)10-18/h3-10,14,17,24H,11-12H2,1-2H3
InChIKeyBNKJODUAIBHHFN-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.35
Rot. Bonds6

About 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 17499260) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID17499260
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(O)COc3cccc(Br)c3)C(=O)C2C)cc1
InChIInChI=1S/C20H21BrN2O4/c1-13-6-8-16(9-7-13)23-14(2)19(25)22(20(23)26)11-17(24)12-27-18-5-3-4-15(21)10-18/h3-10,14,17,24H,11-12H2,1-2H3
InChIKeyBNKJODUAIBHHFN-UHFFFAOYSA-N
XLogP3.35
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 17499260) is 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CC(O)COc3cccc(Br)c3)C(=O)C2C)cc1.
What is the InChIKey of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is BNKJODUAIBHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-13-6-8-16(9-7-13)23-14(2)19(25)22(20(23)26)11-17(24)12-27-18-5-3-4-15(21)10-18/h3-10,14,17,24H,11-12H2,1-2H3.
What are the key properties of 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 433.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromophenoxy)-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17499260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).