3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C16H27N3OS — CID 83247467

IUPAC3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCCCN(C)C(C)C)s1
InChIInChI=1S/C16H27N3OS/c1-12(2)18(4)9-5-6-10-19-15(20)11-17-16(19)14-8-7-13(3)21-14/h7-8,12,16-17H,5-6,9-11H2,1-4H3
InChIKeyHQBUQBBFVIFDQD-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.61
Rot. Bonds7

About 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83247467) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83247467
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCCCN(C)C(C)C)s1
InChIInChI=1S/C16H27N3OS/c1-12(2)18(4)9-5-6-10-19-15(20)11-17-16(19)14-8-7-13(3)21-14/h7-8,12,16-17H,5-6,9-11H2,1-4H3
InChIKeyHQBUQBBFVIFDQD-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 106053056
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83247971
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
3-[(1-methylcyclopentyl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83258094
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83259327
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83247467) is 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CCCCN(C)C(C)C)s1.
What is the InChIKey of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is HQBUQBBFVIFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12(2)18(4)9-5-6-10-19-15(20)11-17-16(19)14-8-7-13(3)21-14/h7-8,12,16-17H,5-6,9-11H2,1-4H3.
What are the key properties of 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83247467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).