1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one

C16H22N2O — CID 177467250

IUPAC1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one
SMILESCCN1CC(/C=C(\C)c2ccccc2)N(CC)C1=O
InChIInChI=1S/C16H22N2O/c1-4-17-12-15(18(5-2)16(17)19)11-13(3)14-9-7-6-8-10-14/h6-11,15H,4-5,12H2,1-3H3/b13-11+
InChIKeyAAWIKRIBTIQOOZ-ACCUITESSA-N
MW258.37 g/mol
LogP3.24
Rot. Bonds4

About 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one

1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one (PubChem CID 177467250) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one
PubChem CID177467250
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one
SMILESCCN1CC(/C=C(\C)c2ccccc2)N(CC)C1=O
InChIInChI=1S/C16H22N2O/c1-4-17-12-15(18(5-2)16(17)19)11-13(3)14-9-7-6-8-10-14/h6-11,15H,4-5,12H2,1-3H3/b13-11+
InChIKeyAAWIKRIBTIQOOZ-ACCUITESSA-N
XLogP3.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-diethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]imidazolidin-2-one
CID 102351247
1-methyl-3-[(E)-2-phenylprop-1-enyl]pyrrolidine
CID 144568202
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
3-[(4-ethyl-2-methyl-3-oxopiperazin-1-yl)methyl]benzoic acid
CID 122033180
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
1-[(Z)-2-phenylprop-1-enyl]aziridine
CID 87132052
diphenylmethanone;propanal
CID 159329764
4-[(Z)-2-phenylprop-1-enyl]piperidine
CID 66809232
(4S)-3-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-1-ethyl-2-oxoimidazolidine-4-carboxylic acid
CID 13053998
3-[(E)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 101211960
phenyl-[(E)-2-phenylprop-1-enyl]iodanium
CID 12014626
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one?
The IUPAC name of 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one (CID 177467250) is 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one?
The canonical SMILES for 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one is CCN1CC(/C=C(\C)c2ccccc2)N(CC)C1=O.
What is the InChIKey of 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one?
The InChIKey is AAWIKRIBTIQOOZ-ACCUITESSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-17-12-15(18(5-2)16(17)19)11-13(3)14-9-7-6-8-10-14/h6-11,15H,4-5,12H2,1-3H3/b13-11+.
What are the key properties of 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one?
1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-[(E)-2-phenylprop-1-enyl]imidazolidin-2-one is sourced from PubChem (CID 177467250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).