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

C16H27N3OS — CID 83245133

IUPAC3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CCCCN(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-5-16(2)15(20)19(10-7-6-9-18(3)4)14(17-16)13-8-11-21-12-13/h8,11-12,14,17H,5-7,9-10H2,1-4H3
InChIKeyDJRMRMRBVYGVNC-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.69
Rot. Bonds7

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

3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83245133) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83245133
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC1(C)NC(c2ccsc2)N(CCCCN(C)C)C1=O
InChIInChI=1S/C16H27N3OS/c1-5-16(2)15(20)19(10-7-6-9-18(3)4)14(17-16)13-8-11-21-12-13/h8,11-12,14,17H,5-7,9-10H2,1-4H3
InChIKeyDJRMRMRBVYGVNC-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458
3-[4-(dimethylamino)butyl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245135
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
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-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
CID 83233708

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (CID 83245133) is 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is CCC1(C)NC(c2ccsc2)N(CCCCN(C)C)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is DJRMRMRBVYGVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-16(2)15(20)19(10-7-6-9-18(3)4)14(17-16)13-8-11-21-12-13/h8,11-12,14,17H,5-7,9-10H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.69, 7 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-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83245133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).