2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one

C5H6F3N3O — CID 83136409

IUPAC2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one
SMILESNC1=NC(=O)CN1CC(F)(F)F
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)2-11-1-3(12)10-4(11)9/h1-2H2,(H2,9,10,12)
InChIKeyGHERARQSVZYPCE-UHFFFAOYSA-N
MW181.12 g/mol
LogP-0.29
Rot. Bonds1

About 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one

2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one (PubChem CID 83136409) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one
PubChem CID83136409
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one
SMILESNC1=NC(=O)CN1CC(F)(F)F
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)2-11-1-3(12)10-4(11)9/h1-2H2,(H2,9,10,12)
InChIKeyGHERARQSVZYPCE-UHFFFAOYSA-N
XLogP-0.29
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22403778
1-(2,2,2-trifluoroethyl)azetidin-2-one
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1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 130742010
(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 130236749
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
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1-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4-dione
CID 77019819
3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
CID 130237017
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
1-(2,2,2-trifluoroethyl)pyrrolidin-3-one
CID 43314819
6-amino-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 165344738
3-cyclohexyl-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 79266293
3-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]propanal
CID 84789602

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one?
The IUPAC name of 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one (CID 83136409) is 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one?
The canonical SMILES for 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one is NC1=NC(=O)CN1CC(F)(F)F.
What is the InChIKey of 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one?
The InChIKey is GHERARQSVZYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c6-5(7,8)2-11-1-3(12)10-4(11)9/h1-2H2,(H2,9,10,12).
What are the key properties of 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one?
2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one has a molecular weight of 181.12 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2,2-trifluoroethyl)-4H-imidazol-5-one is sourced from PubChem (CID 83136409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).