1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one

C12H15BrN2O3 — CID 28981461

IUPAC1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1ccc(Br)cc1CO
InChIInChI=1S/C12H15BrN2O3/c13-10-1-2-11(9(7-10)8-16)18-6-5-15-4-3-14-12(15)17/h1-2,7,16H,3-6,8H2,(H,14,17)
InChIKeyUSOSWYGKMJINER-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.35
Rot. Bonds5

About 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one

1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one (PubChem CID 28981461) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
PubChem CID28981461
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1ccc(Br)cc1CO
InChIInChI=1S/C12H15BrN2O3/c13-10-1-2-11(9(7-10)8-16)18-6-5-15-4-3-14-12(15)17/h1-2,7,16H,3-6,8H2,(H,14,17)
InChIKeyUSOSWYGKMJINER-UHFFFAOYSA-N
XLogP1.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459
1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43277658
5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62103329
1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
CID 112621106
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686
1-[2-[2-(ethylaminomethyl)-4-fluorophenoxy]ethyl]imidazolidin-2-one
CID 107695464
3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
CID 43152589
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43278045
1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
CID 137399955
1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
CID 83133891
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one (CID 28981461) is 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one is O=C1NCCN1CCOc1ccc(Br)cc1CO.
What is the InChIKey of 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one?
The InChIKey is USOSWYGKMJINER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-10-1-2-11(9(7-10)8-16)18-6-5-15-4-3-14-12(15)17/h1-2,7,16H,3-6,8H2,(H,14,17).
What are the key properties of 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one?
1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one has a molecular weight of 315.17 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 28981461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).