3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one

C17H26N2OS — CID 83269816

IUPAC3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccsc2)N(C2CCCC2(C)C)C1=O
InChIInChI=1S/C17H26N2OS/c1-11(2)14-16(20)19(13-6-5-8-17(13,3)4)15(18-14)12-7-9-21-10-12/h7,9-11,13-15,18H,5-6,8H2,1-4H3
InChIKeyLXHFVVZPFMOPHZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.78
Rot. Bonds3

About 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one

3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83269816) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83269816
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)C1NC(c2ccsc2)N(C2CCCC2(C)C)C1=O
InChIInChI=1S/C17H26N2OS/c1-11(2)14-16(20)19(13-6-5-8-17(13,3)4)15(18-14)12-7-9-21-10-12/h7,9-11,13-15,18H,5-6,8H2,1-4H3
InChIKeyLXHFVVZPFMOPHZ-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (CID 83269816) is 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is CC(C)C1NC(c2ccsc2)N(C2CCCC2(C)C)C1=O.
What is the InChIKey of 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is LXHFVVZPFMOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-11(2)14-16(20)19(13-6-5-8-17(13,3)4)15(18-14)12-7-9-21-10-12/h7,9-11,13-15,18H,5-6,8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 306.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopentyl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83269816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).