5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one

C14H20N2O2 — CID 21460407

IUPAC5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
SMILESCC1(C)CNC(=O)N1CCOCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-14(2)11-15-13(17)16(14)8-9-18-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,17)
InChIKeyDIYSGAJOUIQBMR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds5

About 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one

5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one (PubChem CID 21460407) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
PubChem CID21460407
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one
SMILESCC1(C)CNC(=O)N1CCOCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-14(2)11-15-13(17)16(14)8-9-18-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,17)
InChIKeyDIYSGAJOUIQBMR-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
CID 144763307
2,2,4-trimethyl-1-(2-phenylmethoxyethyl)-3,4-dihydroquinoline
CID 21407626
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
CID 72841415
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
3-methyl-3-(phenylmethoxymethoxy)azetidine
CID 106938741
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
CID 117024032
1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione
CID 64879945
tert-butyl 2-[4,4-dimethyl-2,5-dioxo-3-(2-phenylmethoxyethyl)imidazolidin-1-yl]acetate
CID 166604130
(4aR,7S,7aS)-4a-hydroxy-2,2-dimethyl-7-phenylmethoxy-5-(2-phenylmethoxyethyl)-7,7a-dihydro-4H-[1,3]dioxino[5,4-b]pyrrol-6-one
CID 53230425
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one?
The IUPAC name of 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one (CID 21460407) is 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one is CC1(C)CNC(=O)N1CCOCc1ccccc1.
What is the InChIKey of 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one?
The InChIKey is DIYSGAJOUIQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)11-15-13(17)16(14)8-9-18-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,17).
What are the key properties of 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one?
5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-phenylmethoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 21460407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).