3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one

C16H27N3OS — CID 83253987

IUPAC3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CC(C)(C)N(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-6-7-13-15(20)19(11-16(2,3)18(4)5)14(17-13)12-8-9-21-10-12/h8-10,13-14,17H,6-7,11H2,1-5H3
InChIKeyRHJIAAVTGRIWDQ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds6

About 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one

3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83253987) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83253987
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CC(C)(C)N(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-6-7-13-15(20)19(11-16(2,3)18(4)5)14(17-13)12-8-9-21-10-12/h8-10,13-14,17H,6-7,11H2,1-5H3
InChIKeyRHJIAAVTGRIWDQ-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

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Related Compounds

3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
5-propyl-3-(2,2,3,3-tetrafluoropropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 106291556
3-[2-[ethyl(methyl)amino]ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83254460
5-butyl-3-(2,2-dimethylbutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 103466816
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245135
3-[2-(diethylamino)ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83238183
3-(2-ethoxyethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83237977
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
3-(2-methyl-3-methylsulfanylpropyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83257048
5-ethyl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242612
3-[4-(dimethylamino)butan-2-yl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253318

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83253987) is 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CC(C)(C)N(C)C)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is RHJIAAVTGRIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-6-7-13-15(20)19(11-16(2,3)18(4)5)14(17-13)12-8-9-21-10-12/h8-10,13-14,17H,6-7,11H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-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-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83253987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).