3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C12H16N2OS — CID 83254899

IUPAC3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCC2)s1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-10(16-8)12-13-7-11(15)14(12)9-3-2-4-9/h5-6,9,12-13H,2-4,7H2,1H3
InChIKeyVYJOYYWYGHWGKX-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds2

About 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83254899) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83254899
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCC2)s1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-10(16-8)12-13-7-11(15)14(12)9-3-2-4-9/h5-6,9,12-13H,2-4,7H2,1H3
InChIKeyVYJOYYWYGHWGKX-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
3-(3-methylcyclopentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 114552339
3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83238326
3-(2-methyloxolan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260117
3-cyclopentyl-2-(2-methylphenyl)imidazolidin-4-one
CID 83243092
3-cycloheptyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243481
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83264573
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-cyclopentyl-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243192
3-[(1-methylcyclopentyl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83258094

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83254899) is 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C2CCC2)s1.
What is the InChIKey of 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is VYJOYYWYGHWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-6-10(16-8)12-13-7-11(15)14(12)9-3-2-4-9/h5-6,9,12-13H,2-4,7H2,1H3.
What are the key properties of 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83254899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).