3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one

C16H26N2OS — CID 83259458

IUPAC3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CC(C)C(C)C)C1=O
InChIInChI=1S/C16H26N2OS/c1-6-16(5)15(19)18(9-12(4)11(2)3)14(17-16)13-7-8-20-10-13/h7-8,10-12,14,17H,6,9H2,1-5H3
InChIKeyAFKHDMVNNXQCJH-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.64
Rot. Bonds5

About 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one

3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83259458) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83259458
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CC(C)C(C)C)C1=O
InChIInChI=1S/C16H26N2OS/c1-6-16(5)15(19)18(9-12(4)11(2)3)14(17-16)13-7-8-20-10-13/h7-8,10-12,14,17H,6,9H2,1-5H3
InChIKeyAFKHDMVNNXQCJH-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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Related Compounds

5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506
5-ethyl-5-methyl-3-[(2-methylthiolan-2-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83268458
5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83259462
5-ethyl-3-(2-methoxypropyl)-5-methyl-2-phenylimidazolidin-4-one
CID 102702062
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (CID 83259458) is 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is CCC1(C)NC(c2ccsc2)N(CC(C)C(C)C)C1=O.
What is the InChIKey of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is AFKHDMVNNXQCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-6-16(5)15(19)18(9-12(4)11(2)3)14(17-16)13-7-8-20-10-13/h7-8,10-12,14,17H,6,9H2,1-5H3.
What are the key properties of 3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-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-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83259458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).