3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one

C16H26N2O2S — CID 83245582

IUPAC3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCOCCCCN1C(=O)C(C(C)C)NC1c1ccc(C)s1
InChIInChI=1S/C16H26N2O2S/c1-11(2)14-16(19)18(9-5-6-10-20-4)15(17-14)13-8-7-12(3)21-13/h7-8,11,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyGCMSSOIJWVHIAE-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.94
Rot. Bonds7

About 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one

3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83245582) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83245582
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
SMILESCOCCCCN1C(=O)C(C(C)C)NC1c1ccc(C)s1
InChIInChI=1S/C16H26N2O2S/c1-11(2)14-16(19)18(9-5-6-10-20-4)15(17-14)13-8-7-12(3)21-13/h7-8,11,14-15,17H,5-6,9-10H2,1-4H3
InChIKeyGCMSSOIJWVHIAE-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one (CID 83245582) is 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one is COCCCCN1C(=O)C(C(C)C)NC1c1ccc(C)s1.
What is the InChIKey of 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is GCMSSOIJWVHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(2)14-16(19)18(9-5-6-10-20-4)15(17-14)13-8-7-12(3)21-13/h7-8,11,14-15,17H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one?
3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 310.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83245582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).