3-butyl-5-phenylimidazolidin-4-one

C13H18N2O — CID 83238128

IUPAC3-butyl-5-phenylimidazolidin-4-one
SMILESCCCCN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C13H18N2O/c1-2-3-9-15-10-14-12(13(15)16)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3
InChIKeyGMDKNXLYIOFQQW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.92
Rot. Bonds4

About 3-butyl-5-phenylimidazolidin-4-one

3-butyl-5-phenylimidazolidin-4-one (PubChem CID 83238128) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-butyl-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-5-phenylimidazolidin-4-one
PubChem CID83238128
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-butyl-5-phenylimidazolidin-4-one
SMILESCCCCN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C13H18N2O/c1-2-3-9-15-10-14-12(13(15)16)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3
InChIKeyGMDKNXLYIOFQQW-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
CID 83256903
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
CID 83246148
3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
CID 113464305
3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
CID 83258403
1-pentyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64883359
3-(cyclobutylmethyl)-5-phenylimidazolidin-4-one
CID 83244563
3-(2-methoxy-2-methylpropyl)-5-phenylimidazolidin-4-one
CID 113451090
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239900
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
1-butyl-4-phenylpyrrolidine-2,3-dione
CID 57099004
(2S,3S)-1-butyl-2,3-diphenylaziridine
CID 102330733

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-phenylimidazolidin-4-one?
The IUPAC name of 3-butyl-5-phenylimidazolidin-4-one (CID 83238128) is 3-butyl-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-butyl-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-butyl-5-phenylimidazolidin-4-one is CCCCN1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-butyl-5-phenylimidazolidin-4-one?
The InChIKey is GMDKNXLYIOFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-3-9-15-10-14-12(13(15)16)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3.
What are the key properties of 3-butyl-5-phenylimidazolidin-4-one?
3-butyl-5-phenylimidazolidin-4-one has a molecular weight of 218.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).