(4S)-4-benzyl-1-butylimidazolidin-2-one

C14H20N2O — CID 102070726

IUPAC(4S)-4-benzyl-1-butylimidazolidin-2-one
SMILESCCCCN1C[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C14H20N2O/c1-2-3-9-16-11-13(15-14(16)17)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyXCORRIJOYUADNG-ZDUSSCGKSA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds5

About (4S)-4-benzyl-1-butylimidazolidin-2-one

(4S)-4-benzyl-1-butylimidazolidin-2-one (PubChem CID 102070726) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4S)-4-benzyl-1-butylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-1-butylimidazolidin-2-one
PubChem CID102070726
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4S)-4-benzyl-1-butylimidazolidin-2-one
SMILESCCCCN1C[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C14H20N2O/c1-2-3-9-16-11-13(15-14(16)17)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyXCORRIJOYUADNG-ZDUSSCGKSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-[(3,4-dimethylphenyl)methyl]imidazolidin-2-one
CID 59057322
4-benzyl-1-butylazetidin-2-one
CID 86190057
3-benzyl-1-pentyl-1,4-diazepane-2,5-dione
CID 64881775
5-benzyl-1-butyl-2,2-diethylpiperazine
CID 64850140
1-butyl-2-oxoimidazolidine-4-carboxylic acid
CID 54048507
1-(3-hydroxypropyl)-4-propylimidazolidin-2-one
CID 116979406
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
CID 91595061
methyl (2S)-2-[(3R)-3-benzyl-5-oxopiperazin-1-yl]hexanoate
CID 57025518
3-benzyl-1-octylpiperazine
CID 64833102
5-benzyl-3-trimethylsilylpyrrolidin-2-one
CID 3024936
5-benzyl-1-methylpiperazin-2-one
CID 44630649

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-1-butylimidazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-1-butylimidazolidin-2-one (CID 102070726) is (4S)-4-benzyl-1-butylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-1-butylimidazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-1-butylimidazolidin-2-one is CCCCN1C[C@H](Cc2ccccc2)NC1=O.
What is the InChIKey of (4S)-4-benzyl-1-butylimidazolidin-2-one?
The InChIKey is XCORRIJOYUADNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-9-16-11-13(15-14(16)17)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-1-butylimidazolidin-2-one?
(4S)-4-benzyl-1-butylimidazolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-1-butylimidazolidin-2-one is sourced from PubChem (CID 102070726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).