5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

C15H25F3N2O — CID 83249005

IUPAC5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C2CCCC2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C15H25F3N2O/c1-3-10(2)12-14(21)20(9-8-15(16,17)18)13(19-12)11-6-4-5-7-11/h10-13,19H,3-9H2,1-2H3
InChIKeyIKBQEZSSUGFDKA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.30
Rot. Bonds5

About 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one

5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (PubChem CID 83249005) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
PubChem CID83249005
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C2CCCC2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C15H25F3N2O/c1-3-10(2)12-14(21)20(9-8-15(16,17)18)13(19-12)11-6-4-5-7-11/h10-13,19H,3-9H2,1-2H3
InChIKeyIKBQEZSSUGFDKA-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one (CID 83249005) is 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is CCC(C)C1NC(C2CCCC2)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
The InChIKey is IKBQEZSSUGFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-3-10(2)12-14(21)20(9-8-15(16,17)18)13(19-12)11-6-4-5-7-11/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one?
5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-cyclopentyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one is sourced from PubChem (CID 83249005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).