3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one

C16H27N3OS — CID 83253324

IUPAC3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccs2)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-6-16(3)15(20)19(12(2)9-10-18(4)5)14(17-16)13-8-7-11-21-13/h7-8,11-12,14,17H,6,9-10H2,1-5H3
InChIKeyGADDFNXQYCGXOA-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds6

About 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one

3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83253324) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83253324
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2cccs2)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-6-16(3)15(20)19(12(2)9-10-18(4)5)14(17-16)13-8-7-11-21-13/h7-8,11-12,14,17H,6,9-10H2,1-5H3
InChIKeyGADDFNXQYCGXOA-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
3,5-diethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83238689
6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252441
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
5-ethyl-5-methyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 106291416
5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268226
3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260443
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83238166
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83250421
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one (CID 83253324) is 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one is CCC1(C)NC(c2cccs2)N(C(C)CCN(C)C)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is GADDFNXQYCGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-6-16(3)15(20)19(12(2)9-10-18(4)5)14(17-16)13-8-7-11-21-13/h7-8,11-12,14,17H,6,9-10H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one?
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83253324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).