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

C14H19ClN2O — CID 83261728

IUPAC5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one
SMILESCCCCC1NC(c2cccc(Cl)c2)N(C)C1=O
InChIInChI=1S/C14H19ClN2O/c1-3-4-8-12-14(18)17(2)13(16-12)10-6-5-7-11(15)9-10/h5-7,9,12-13,16H,3-4,8H2,1-2H3
InChIKeyRYBYZUCVTQMDDP-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.96
Rot. Bonds4

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

5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one (PubChem CID 83261728) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one
PubChem CID83261728
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one
SMILESCCCCC1NC(c2cccc(Cl)c2)N(C)C1=O
InChIInChI=1S/C14H19ClN2O/c1-3-4-8-12-14(18)17(2)13(16-12)10-6-5-7-11(15)9-10/h5-7,9,12-13,16H,3-4,8H2,1-2H3
InChIKeyRYBYZUCVTQMDDP-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83259614
2-(3-chlorophenyl)-3-ethyl-5-propylimidazolidin-4-one
CID 83240043
2-(3-chlorophenyl)-5-ethyl-3-hexan-2-ylimidazolidin-4-one
CID 83252025
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
2-(3-chlorophenyl)-5-ethyl-3-(2-methylcyclopentyl)imidazolidin-4-one
CID 83264033
2-(3-chlorophenyl)-3-(2,2-difluoroethyl)-5-ethylimidazolidin-4-one
CID 83270330
5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one
CID 83267520
2-(3-chlorophenyl)-5-ethyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83247620
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
2-(3-chlorophenyl)-3-(cyclopentylmethyl)-5-ethylimidazolidin-4-one
CID 83247552
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
CID 83258190
5-butyl-3-(2,2-dimethylpropyl)-2-phenylimidazolidin-4-one
CID 83246817

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one?
The IUPAC name of 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one (CID 83261728) is 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one is CCCCC1NC(c2cccc(Cl)c2)N(C)C1=O.
What is the InChIKey of 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one?
The InChIKey is RYBYZUCVTQMDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-4-8-12-14(18)17(2)13(16-12)10-6-5-7-11(15)9-10/h5-7,9,12-13,16H,3-4,8H2,1-2H3.
What are the key properties of 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one?
5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one has a molecular weight of 266.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 83261728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).