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

C15H25N3OS — CID 106053056

IUPAC3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCCN(C)C(C)C)s1
InChIInChI=1S/C15H25N3OS/c1-11(2)17(4)8-5-9-18-14(19)10-16-15(18)13-7-6-12(3)20-13/h6-7,11,15-16H,5,8-10H2,1-4H3
InChIKeyIAWCVIQPQWXPRI-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.22
Rot. Bonds6

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

3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 106053056) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID106053056
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CCCN(C)C(C)C)s1
InChIInChI=1S/C15H25N3OS/c1-11(2)17(4)8-5-9-18-14(19)10-16-15(18)13-7-6-12(3)20-13/h6-7,11,15-16H,5,8-10H2,1-4H3
InChIKeyIAWCVIQPQWXPRI-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83247467
3-(3-methylsulfonylpropyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83246858
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
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-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83259327
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83247971
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83255799
3-(1-cyclopropylbutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264382
3-(5-methylhexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83260430

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 106053056) is 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CCCN(C)C(C)C)s1.
What is the InChIKey of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is IAWCVIQPQWXPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(2)17(4)8-5-9-18-14(19)10-16-15(18)13-7-6-12(3)20-13/h6-7,11,15-16H,5,8-10H2,1-4H3.
What are the key properties of 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 295.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 106053056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).