5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one

C13H20N2OS — CID 83244038

IUPAC5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C)NC1c1cccs1
InChIInChI=1S/C13H20N2OS/c1-3-4-5-8-15-12(11-7-6-9-17-11)14-10(2)13(15)16/h6-7,9-10,12,14H,3-5,8H2,1-2H3
InChIKeyVARXQDSWLURNMF-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.76
Rot. Bonds5

About 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one

5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83244038) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83244038
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCCCN1C(=O)C(C)NC1c1cccs1
InChIInChI=1S/C13H20N2OS/c1-3-4-5-8-15-12(11-7-6-9-17-11)14-10(2)13(15)16/h6-7,9-10,12,14H,3-5,8H2,1-2H3
InChIKeyVARXQDSWLURNMF-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-3-pentyl-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

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4811995
(2S,4S)-4-Fluoro-1-{N-[1-methyl-1-(2-thienyl)-ethyl]glycyl}pyrrolidine-2-carbonitrile
CID 44560154
(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide
CID 71457623
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
N-cyclohexyl-N~2~-[(2,5-dioxoimidazolidin-4-yl)acetyl]-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4234389
2-[4-(Thiophen-2-ylmethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 56850516
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one (CID 83244038) is 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one is CCCCCN1C(=O)C(C)NC1c1cccs1.
What is the InChIKey of 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is VARXQDSWLURNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-4-5-8-15-12(11-7-6-9-17-11)14-10(2)13(15)16/h6-7,9-10,12,14H,3-5,8H2,1-2H3.
What are the key properties of 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one?
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83244038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).