3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one

C16H26N2OS — CID 83252691

IUPAC3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(C(C)C)NC1c1ccsc1
InChIInChI=1S/C16H26N2OS/c1-5-6-7-12(4)18-15(13-8-9-20-10-13)17-14(11(2)3)16(18)19/h8-12,14-15,17H,5-7H2,1-4H3
InChIKeyRSPMHDNHDSEAQT-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.78
Rot. Bonds6

About 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one

3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83252691) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83252691
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCCC(C)N1C(=O)C(C(C)C)NC1c1ccsc1
InChIInChI=1S/C16H26N2OS/c1-5-6-7-12(4)18-15(13-8-9-20-10-13)17-14(11(2)3)16(18)19/h8-12,14-15,17H,5-7H2,1-4H3
InChIKeyRSPMHDNHDSEAQT-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
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-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one (CID 83252691) is 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is CCCCC(C)N1C(=O)C(C(C)C)NC1c1ccsc1.
What is the InChIKey of 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is RSPMHDNHDSEAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-6-7-12(4)18-15(13-8-9-20-10-13)17-14(11(2)3)16(18)19/h8-12,14-15,17H,5-7H2,1-4H3.
What are the key properties of 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one?
3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83252691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).