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

C16H26N2O2S — CID 104767703

IUPAC5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2cccs2)N(CCOC(C)C)C1=O
InChIInChI=1S/C16H26N2O2S/c1-5-12(4)14-16(19)18(8-9-20-11(2)3)15(17-14)13-7-6-10-21-13/h6-7,10-12,14-15,17H,5,8-9H2,1-4H3
InChIKeyBOMUFKVPIVKSPJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.02
Rot. Bonds7

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

5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 104767703) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID104767703
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2cccs2)N(CCOC(C)C)C1=O
InChIInChI=1S/C16H26N2O2S/c1-5-12(4)14-16(19)18(8-9-20-11(2)3)15(17-14)13-7-6-10-21-13/h6-7,10-12,14-15,17H,5,8-9H2,1-4H3
InChIKeyBOMUFKVPIVKSPJ-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83250979
5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 104767623
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270001
5-butan-2-yl-3-(2-methylcyclopropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83254989
3-(2-methoxyethyl)-5-(2-methylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83242785
5-butan-2-yl-2-(4-chlorophenyl)-3-(2-methoxyethyl)imidazolidin-4-one
CID 83246998
5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83247255
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275
5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentylimidazolidin-4-one
CID 83245967
5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767656

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one (CID 104767703) is 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one is CCC(C)C1NC(c2cccs2)N(CCOC(C)C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is BOMUFKVPIVKSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-12(4)14-16(19)18(8-9-20-11(2)3)15(17-14)13-7-6-10-21-13/h6-7,10-12,14-15,17H,5,8-9H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 310.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 104767703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).