3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one

C14H20N2OS — CID 113478436

IUPAC3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one
SMILESCSCCC(C)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C14H20N2OS/c1-11(8-9-18-2)16-10-15-13(14(16)17)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3
InChIKeyDEBGUNCWCJWQSD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one

3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one (PubChem CID 113478436) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one
PubChem CID113478436
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one
SMILESCSCCC(C)N1CNC(c2ccccc2)C1=O
InChIInChI=1S/C14H20N2OS/c1-11(8-9-18-2)16-10-15-13(14(16)17)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3
InChIKeyDEBGUNCWCJWQSD-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239900
5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83249113
3-[1-(diethylamino)propan-2-yl]-5-phenylimidazolidin-4-one
CID 83249374
3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
CID 83256903
3-(1-methoxypentan-2-yl)-5-phenylimidazolidin-4-one
CID 83263461
3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
CID 83258403
3-(2-methoxy-2-methylpropyl)-5-phenylimidazolidin-4-one
CID 113451090
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120
1-(4-methoxybutan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64973109
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239108
3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
CID 113464305

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one?
The IUPAC name of 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one (CID 113478436) is 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one is CSCCC(C)N1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one?
The InChIKey is DEBGUNCWCJWQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(8-9-18-2)16-10-15-13(14(16)17)12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3.
What are the key properties of 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one?
3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one has a molecular weight of 264.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 113478436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).