5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C14H23F3N2O — CID 83250430

IUPAC5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCCC1NC(C2CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H23F3N2O/c1-2-3-8-11-13(20)19(9-14(15,16)17)12(18-11)10-6-4-5-7-10/h10-12,18H,2-9H2,1H3
InChIKeyYPQDQVQPKVVJJP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.06
Rot. Bonds5

About 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 83250430) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID83250430
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCCCCC1NC(C2CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H23F3N2O/c1-2-3-8-11-13(20)19(9-14(15,16)17)12(18-11)10-6-4-5-7-10/h10-12,18H,2-9H2,1H3
InChIKeyYPQDQVQPKVVJJP-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 83250430) is 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CCCCC1NC(C2CCCC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is YPQDQVQPKVVJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-2-3-8-11-13(20)19(9-14(15,16)17)12(18-11)10-6-4-5-7-10/h10-12,18H,2-9H2,1H3.
What are the key properties of 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-cyclopentyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 83250430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).