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

C16H26N2OS — CID 83243366

IUPAC3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)CC(C)N1C(=O)C(C(C)C)NC1c1ccsc1
InChIInChI=1S/C16H26N2OS/c1-10(2)8-12(5)18-15(13-6-7-20-9-13)17-14(11(3)4)16(18)19/h6-7,9-12,14-15,17H,8H2,1-5H3
InChIKeyFJHRJKBFMNRGBY-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.64
Rot. Bonds5

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

3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83243366) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83243366
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(C)CC(C)N1C(=O)C(C(C)C)NC1c1ccsc1
InChIInChI=1S/C16H26N2OS/c1-10(2)8-12(5)18-15(13-6-7-20-9-13)17-14(11(3)4)16(18)19/h6-7,9-12,14-15,17H,8H2,1-5H3
InChIKeyFJHRJKBFMNRGBY-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (CID 83243366) is 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is CC(C)CC(C)N1C(=O)C(C(C)C)NC1c1ccsc1.
What is the InChIKey of 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is FJHRJKBFMNRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10(2)8-12(5)18-15(13-6-7-20-9-13)17-14(11(3)4)16(18)19/h6-7,9-12,14-15,17H,8H2,1-5H3.
What are the key properties of 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83243366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).