5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one

C17H32N2OS — CID 83266972

IUPAC5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC(C)C)N(CC2CCCCS2)C1=O
InChIInChI=1S/C17H32N2OS/c1-5-13(4)16-17(20)19(15(18-16)10-12(2)3)11-14-8-6-7-9-21-14/h12-16,18H,5-11H2,1-4H3
InChIKeyXMJKAKWDLUFKQX-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.49
Rot. Bonds6

About 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one

5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83266972) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83266972
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC(C)C)N(CC2CCCCS2)C1=O
InChIInChI=1S/C17H32N2OS/c1-5-13(4)16-17(20)19(15(18-16)10-12(2)3)11-14-8-6-7-9-21-14/h12-16,18H,5-11H2,1-4H3
InChIKeyXMJKAKWDLUFKQX-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270997
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
5-butan-2-yl-3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270001
5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270679
2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269998
5-butan-2-yl-3-cyclobutyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83254319
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
5-butan-2-yl-3-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83260681
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83266972) is 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one is CCC(C)C1NC(CC(C)C)N(CC2CCCCS2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is XMJKAKWDLUFKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-5-13(4)16-17(20)19(15(18-16)10-12(2)3)11-14-8-6-7-9-21-14/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one?
5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 312.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83266972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).