3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one

C17H28N2OS — CID 83247626

IUPAC3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(C)s2)N(C(C)C(C)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-6-8-14-17(20)19(13(5)11(3)7-2)16(18-14)15-10-9-12(4)21-15/h9-11,13-14,16,18H,6-8H2,1-5H3
InChIKeyNNQWOICYFNMAFV-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.09
Rot. Bonds6

About 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one

3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one (PubChem CID 83247626) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
PubChem CID83247626
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(C)s2)N(C(C)C(C)CC)C1=O
InChIInChI=1S/C17H28N2OS/c1-6-8-14-17(20)19(13(5)11(3)7-2)16(18-14)15-10-9-12(4)21-15/h9-11,13-14,16,18H,6-8H2,1-5H3
InChIKeyNNQWOICYFNMAFV-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245916
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264275
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one
CID 83245482
3-(2-methylcyclopentyl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83264047
5-butan-2-yl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83245929
5-butyl-2-methyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246045
3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83252605
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
5-butyl-3-cyclopropyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83242881
3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one (CID 83247626) is 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc(C)s2)N(C(C)C(C)CC)C1=O.
What is the InChIKey of 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
The InChIKey is NNQWOICYFNMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-8-14-17(20)19(13(5)11(3)7-2)16(18-14)15-10-9-12(4)21-15/h9-11,13-14,16,18H,6-8H2,1-5H3.
What are the key properties of 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83247626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).