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

C13H21N3OS — CID 83249965

IUPAC3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(CCN(C)C)N1C(=O)CNC1c1ccsc1
InChIInChI=1S/C13H21N3OS/c1-10(4-6-15(2)3)16-12(17)8-14-13(16)11-5-7-18-9-11/h5,7,9-10,13-14H,4,6,8H2,1-3H3
InChIKeyTYOUCSKXAIKNTP-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.52
Rot. Bonds5

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

3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83249965) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83249965
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one
SMILESCC(CCN(C)C)N1C(=O)CNC1c1ccsc1
InChIInChI=1S/C13H21N3OS/c1-10(4-6-15(2)3)16-12(17)8-14-13(16)11-5-7-18-9-11/h5,7,9-10,13-14H,4,6,8H2,1-3H3
InChIKeyTYOUCSKXAIKNTP-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83253333
3-[4-(dimethylamino)butan-2-yl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253318
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634
3-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83244460
3-(2-methoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 102702005
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83256663
3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83255014
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-[(4-ethylcyclohexyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83254067

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one (CID 83249965) is 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one is CC(CCN(C)C)N1C(=O)CNC1c1ccsc1.
What is the InChIKey of 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is TYOUCSKXAIKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(4-6-15(2)3)16-12(17)8-14-13(16)11-5-7-18-9-11/h5,7,9-10,13-14H,4,6,8H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one?
3-[4-(dimethylamino)butan-2-yl]-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 267.40 g/mol, XLogP of 1.52, 5 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]-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83249965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).