3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H17BrN2O4 — CID 1393585

IUPAC3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2Br)C1=O
InChIInChI=1S/C14H17BrN2O4/c1-14(2)12(19)17(13(20)16-14)7-9(18)8-21-11-6-4-3-5-10(11)15/h3-6,9,18H,7-8H2,1-2H3,(H,16,20)/t9-/m1/s1
InChIKeyMTROSLTYOPPOEW-SECBINFHSA-N
MW357.20 g/mol
LogP1.52
Rot. Bonds5

About 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 1393585) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID1393585
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2Br)C1=O
InChIInChI=1S/C14H17BrN2O4/c1-14(2)12(19)17(13(20)16-14)7-9(18)8-21-11-6-4-3-5-10(11)15/h3-6,9,18H,7-8H2,1-2H3,(H,16,20)/t9-/m1/s1
InChIKeyMTROSLTYOPPOEW-SECBINFHSA-N
XLogP1.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 1393585) is 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2Br)C1=O.
What is the InChIKey of 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MTROSLTYOPPOEW-SECBINFHSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-14(2)12(19)17(13(20)16-14)7-9(18)8-21-11-6-4-3-5-10(11)15/h3-6,9,18H,7-8H2,1-2H3,(H,16,20)/t9-/m1/s1.
What are the key properties of 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 357.20 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 1393585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).