5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

C17H24N2OS — CID 83244937

IUPAC5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(SC)cc2)N(C2CC2)C1=O
InChIInChI=1S/C17H24N2OS/c1-3-4-5-15-17(20)19(13-8-9-13)16(18-15)12-6-10-14(21-2)11-7-12/h6-7,10-11,13,15-16,18H,3-5,8-9H2,1-2H3
InChIKeyNGXAPDMWAUQIGA-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.56
Rot. Bonds6

About 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (PubChem CID 83244937) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
PubChem CID83244937
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCCCCC1NC(c2ccc(SC)cc2)N(C2CC2)C1=O
InChIInChI=1S/C17H24N2OS/c1-3-4-5-15-17(20)19(13-8-9-13)16(18-15)12-6-10-14(21-2)11-7-12/h6-7,10-11,13,15-16,18H,3-5,8-9H2,1-2H3
InChIKeyNGXAPDMWAUQIGA-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-cyclopropyl-2-(4-ethylphenyl)imidazolidin-4-one
CID 83244903
3-cyclopropyl-2-(4-ethylphenyl)-5-propylimidazolidin-4-one
CID 83242888
5-butyl-3-cyclopropyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83242881
5-butyl-3-cyclopentyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242915
3-cyclopentyl-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83242494
3-cyclopropyl-2-(3-methylphenyl)-5-propylimidazolidin-4-one
CID 83242282
5-butyl-3-(3-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 114552342
5-butyl-3-(oxolan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83271415
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
5-butyl-2-ethyl-3-(4-methylcyclohexyl)imidazolidin-4-one
CID 83238921
5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83247509
3-cyclopropyl-2-(2-methylphenyl)-5-propylimidazolidin-4-one
CID 83243070

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (CID 83244937) is 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is CCCCC1NC(c2ccc(SC)cc2)N(C2CC2)C1=O.
What is the InChIKey of 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The InChIKey is NGXAPDMWAUQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-4-5-15-17(20)19(13-8-9-13)16(18-15)12-6-10-14(21-2)11-7-12/h6-7,10-11,13,15-16,18H,3-5,8-9H2,1-2H3.
What are the key properties of 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one has a molecular weight of 304.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-cyclopropyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83244937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).