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

C13H18N2O3 — CID 63325459

IUPAC1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1ccc(OCCN2CCNC2=O)c(CO)c1
InChIInChI=1S/C13H18N2O3/c1-10-2-3-12(11(8-10)9-16)18-7-6-15-5-4-14-13(15)17/h2-3,8,16H,4-7,9H2,1H3,(H,14,17)
InChIKeyKXOVOVILMFIIOA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.89
Rot. Bonds5

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

1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one (PubChem CID 63325459) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
PubChem CID63325459
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1ccc(OCCN2CCNC2=O)c(CO)c1
InChIInChI=1S/C13H18N2O3/c1-10-2-3-12(11(8-10)9-16)18-7-6-15-5-4-14-13(15)17/h2-3,8,16H,4-7,9H2,1H3,(H,14,17)
InChIKeyKXOVOVILMFIIOA-UHFFFAOYSA-N
XLogP0.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28981461
1-[2-(2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 64854131
1-[2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 43504906
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
CID 112621106
1-[2-[2-(ethylaminomethyl)-4-fluorophenoxy]ethyl]imidazolidin-2-one
CID 107695464
1-[2-(3-hydroxy-2-methylphenoxy)ethyl]imidazolidin-2-one
CID 43143307
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
1-[2-(1-methoxynaphthalen-2-yl)oxyethyl]imidazolidin-2-one
CID 137399955
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43278045

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one (CID 63325459) is 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one is Cc1ccc(OCCN2CCNC2=O)c(CO)c1.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is KXOVOVILMFIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-2-3-12(11(8-10)9-16)18-7-6-15-5-4-14-13(15)17/h2-3,8,16H,4-7,9H2,1H3,(H,14,17).
What are the key properties of 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one?
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 63325459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).