3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

C14H17F3N2O — CID 83238040

IUPAC3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-2-3-8-19-12(20)9-18-13(19)10-4-6-11(7-5-10)14(15,16)17/h4-7,13,18H,2-3,8-9H2,1H3
InChIKeyIRGDXCAQUKEXRW-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.94
Rot. Bonds4

About 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one

3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83238040) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83238040
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-2-3-8-19-12(20)9-18-13(19)10-4-6-11(7-5-10)14(15,16)17/h4-7,13,18H,2-3,8-9H2,1H3
InChIKeyIRGDXCAQUKEXRW-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83238040) is 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is CCCCN1C(=O)CNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is IRGDXCAQUKEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-3-8-19-12(20)9-18-13(19)10-4-6-11(7-5-10)14(15,16)17/h4-7,13,18H,2-3,8-9H2,1H3.
What are the key properties of 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 286.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83238040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).