1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one

C12H14F3N3O — CID 59536832

IUPAC1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
SMILESNC(CN1CCNC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-3-1-2-8(6-9)10(16)7-18-5-4-17-11(18)19/h1-3,6,10H,4-5,7,16H2,(H,17,19)
InChIKeyNEHVIVXYBFWITE-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.73
Rot. Bonds3

About 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one

1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one (PubChem CID 59536832) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
PubChem CID59536832
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one
SMILESNC(CN1CCNC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-3-1-2-8(6-9)10(16)7-18-5-4-17-11(18)19/h1-3,6,10H,4-5,7,16H2,(H,17,19)
InChIKeyNEHVIVXYBFWITE-UHFFFAOYSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one (CID 59536832) is 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one is NC(CN1CCNC1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
The InChIKey is NEHVIVXYBFWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-3-1-2-8(6-9)10(16)7-18-5-4-17-11(18)19/h1-3,6,10H,4-5,7,16H2,(H,17,19).
What are the key properties of 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one?
1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one has a molecular weight of 273.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 59536832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).