1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one

C15H19F3N4O — CID 89310722

IUPAC1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one
SMILESNc1cc(C(F)(F)F)ccc1N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)10-1-2-13(12(19)9-10)21-6-3-11(4-7-21)22-8-5-20-14(22)23/h1-2,9,11H,3-8,19H2,(H,20,23)
InChIKeyQSPVKCMWRICWTK-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.28
Rot. Bonds2

About 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 89310722) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID89310722
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one
SMILESNc1cc(C(F)(F)F)ccc1N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)10-1-2-13(12(19)9-10)21-6-3-11(4-7-21)22-8-5-20-14(22)23/h1-2,9,11H,3-8,19H2,(H,20,23)
InChIKeyQSPVKCMWRICWTK-UHFFFAOYSA-N
XLogP2.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one (CID 89310722) is 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one is Nc1cc(C(F)(F)F)ccc1N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QSPVKCMWRICWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)10-1-2-13(12(19)9-10)21-6-3-11(4-7-21)22-8-5-20-14(22)23/h1-2,9,11H,3-8,19H2,(H,20,23).
What are the key properties of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 328.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 89310722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).