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

C13H18N2OS — CID 83243272

IUPAC3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCCC2)s1
InChIInChI=1S/C13H18N2OS/c1-9-6-7-11(17-9)13-14-8-12(16)15(13)10-4-2-3-5-10/h6-7,10,13-14H,2-5,8H2,1H3
InChIKeyXQRYKCFFRRJZQR-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.43
Rot. Bonds2

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

3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83243272) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83243272
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCCC2)s1
InChIInChI=1S/C13H18N2OS/c1-9-6-7-11(17-9)13-14-8-12(16)15(13)10-4-2-3-5-10/h6-7,10,13-14H,2-5,8H2,1H3
InChIKeyXQRYKCFFRRJZQR-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83243272) is 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C2CCCC2)s1.
What is the InChIKey of 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is XQRYKCFFRRJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-6-7-11(17-9)13-14-8-12(16)15(13)10-4-2-3-5-10/h6-7,10,13-14H,2-5,8H2,1H3.
What are the key properties of 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 250.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83243272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).