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

C16H27N3OS — CID 83245135

IUPAC3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCCCN(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-4-7-14-16(20)19(10-6-5-9-18(2)3)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,4-7,9-10H2,1-3H3
InChIKeyZDVZUILEUGPFFG-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds8

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

3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83245135) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83245135
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCCC1NC(c2ccsc2)N(CCCCN(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-4-7-14-16(20)19(10-6-5-9-18(2)3)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,4-7,9-10H2,1-3H3
InChIKeyZDVZUILEUGPFFG-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dipropyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242253
3-[2-[ethyl(methyl)amino]ethyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83254460
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
5-butyl-3-(4-methoxybutyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248664
3-[2-(dimethylamino)-2-methylpropyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253987
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
5-butyl-3-[2-(dimethylamino)propyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252274
3-(cyclobutylmethyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83243416
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
3-(2-methyl-3-methylsulfanylpropyl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83257048

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one (CID 83245135) is 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one is CCCC1NC(c2ccsc2)N(CCCCN(C)C)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is ZDVZUILEUGPFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-7-14-16(20)19(10-6-5-9-18(2)3)15(17-14)13-8-11-21-12-13/h8,11-12,14-15,17H,4-7,9-10H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83245135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).