1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one

C15H24N4O2S — CID 46530228

IUPAC1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCCCCn1c(SC(C)C(=O)N2CCNC2=O)nc(C)c1C
InChIInChI=1S/C15H24N4O2S/c1-5-6-8-18-11(3)10(2)17-15(18)22-12(4)13(20)19-9-7-16-14(19)21/h12H,5-9H2,1-4H3,(H,16,21)
InChIKeyPTRIZOWPHADODB-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.33
Rot. Bonds6

About 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one

1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 46530228) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID46530228
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCCCCn1c(SC(C)C(=O)N2CCNC2=O)nc(C)c1C
InChIInChI=1S/C15H24N4O2S/c1-5-6-8-18-11(3)10(2)17-15(18)22-12(4)13(20)19-9-7-16-14(19)21/h12H,5-9H2,1-4H3,(H,16,21)
InChIKeyPTRIZOWPHADODB-UHFFFAOYSA-N
XLogP2.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-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

2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 8026860
N-cyclopropyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 40129341
1-[2-(1-Cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
CID 8005489
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 8010770
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 16331522
N-ethyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 40129405
N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 47140774
2-(4,5-dimethyl-1H-imidazol-1-yl)-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}acetamide
CID 91794635
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 24238221
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 25406182
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 25406185
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 40675505

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one (CID 46530228) is 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one is CCCCn1c(SC(C)C(=O)N2CCNC2=O)nc(C)c1C.
What is the InChIKey of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is PTRIZOWPHADODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-5-6-8-18-11(3)10(2)17-15(18)22-12(4)13(20)19-9-7-16-14(19)21/h12H,5-9H2,1-4H3,(H,16,21).
What are the key properties of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one?
1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 324.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 46530228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).