5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one

C15H22N2O2 — CID 83259614

IUPAC5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
SMILESCCCCC1NC(c2cccc(OC)c2)N(C)C1=O
InChIInChI=1S/C15H22N2O2/c1-4-5-9-13-15(18)17(2)14(16-13)11-7-6-8-12(10-11)19-3/h6-8,10,13-14,16H,4-5,9H2,1-3H3
InChIKeyZXJMDXYTCMYTNA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds5

About 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one

5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one (PubChem CID 83259614) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
PubChem CID83259614
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
SMILESCCCCC1NC(c2cccc(OC)c2)N(C)C1=O
InChIInChI=1S/C15H22N2O2/c1-4-5-9-13-15(18)17(2)14(16-13)11-7-6-8-12(10-11)19-3/h6-8,10,13-14,16H,4-5,9H2,1-3H3
InChIKeyZXJMDXYTCMYTNA-UHFFFAOYSA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-(2-methylsulfanylethyl)-5-propylimidazolidin-4-one
CID 83263494
5-butan-2-yl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83262375
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253
3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
CID 83233721
3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262651
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
2-(3-methoxyphenyl)-5-methyl-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257576
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one?
The IUPAC name of 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one (CID 83259614) is 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one is CCCCC1NC(c2cccc(OC)c2)N(C)C1=O.
What is the InChIKey of 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one?
The InChIKey is ZXJMDXYTCMYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-5-9-13-15(18)17(2)14(16-13)11-7-6-8-12(10-11)19-3/h6-8,10,13-14,16H,4-5,9H2,1-3H3.
What are the key properties of 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one?
5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one has a molecular weight of 262.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 83259614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).