1-benzyl-5-pentylimidazolidin-2-one

C15H22N2O — CID 102031647

IUPAC1-benzyl-5-pentylimidazolidin-2-one
SMILESCCCCCC1CNC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-5-10-14-11-16-15(18)17(14)12-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3,(H,16,18)
InChIKeyLMLMFDCFFBLVSO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.16
Rot. Bonds6

About 1-benzyl-5-pentylimidazolidin-2-one

1-benzyl-5-pentylimidazolidin-2-one (PubChem CID 102031647) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-benzyl-5-pentylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-pentylimidazolidin-2-one
PubChem CID102031647
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-benzyl-5-pentylimidazolidin-2-one
SMILESCCCCCC1CNC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-5-10-14-11-16-15(18)17(14)12-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3,(H,16,18)
InChIKeyLMLMFDCFFBLVSO-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71330928
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CID 101155739
1-benzyl-5-dodecylimidazolidine-2,4-dione
CID 57096374
(3S,4R)-1-benzyl-4-(difluoromethyl)-3-octylazetidin-2-one
CID 10336322
(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one
CID 54360295
(4R,5S)-3-benzyl-5-decyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 139935287
(4R,5S)-3-benzyl-5-[(1S)-1,2-dihydroxyethyl]-4-tetradecyl-1,3-oxazolidin-2-one
CID 56653265
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
(5S)-1-[(3-chlorophenyl)methyl]-5-phenylimidazolidin-2-one
CID 124677204
(5S)-4-benzyl-1-[4-[(2R)-1-benzyl-5,6-dioxopiperazin-2-yl]butyl]-5-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione
CID 53301817

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-pentylimidazolidin-2-one?
The IUPAC name of 1-benzyl-5-pentylimidazolidin-2-one (CID 102031647) is 1-benzyl-5-pentylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-5-pentylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-5-pentylimidazolidin-2-one is CCCCCC1CNC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-pentylimidazolidin-2-one?
The InChIKey is LMLMFDCFFBLVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-5-10-14-11-16-15(18)17(14)12-13-8-6-4-7-9-13/h4,6-9,14H,2-3,5,10-12H2,1H3,(H,16,18).
What are the key properties of 1-benzyl-5-pentylimidazolidin-2-one?
1-benzyl-5-pentylimidazolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-pentylimidazolidin-2-one is sourced from PubChem (CID 102031647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).