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

C15H19F3N2O — CID 83246176

IUPAC3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCC(CC)N1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-3-12(4-2)20-13(21)9-19-14(20)10-5-7-11(8-6-10)15(16,17)18/h5-8,12,14,19H,3-4,9H2,1-2H3
InChIKeyVRCBSGOYVPORNI-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.32
Rot. Bonds4

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

3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83246176) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83246176
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCCC(CC)N1C(=O)CNC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-3-12(4-2)20-13(21)9-19-14(20)10-5-7-11(8-6-10)15(16,17)18/h5-8,12,14,19H,3-4,9H2,1-2H3
InChIKeyVRCBSGOYVPORNI-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83246176) is 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is CCC(CC)N1C(=O)CNC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is VRCBSGOYVPORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-12(4-2)20-13(21)9-19-14(20)10-5-7-11(8-6-10)15(16,17)18/h5-8,12,14,19H,3-4,9H2,1-2H3.
What are the key properties of 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83246176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).