8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

C8H8F3N3O — CID 98772517

IUPAC8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESNc1c(C(F)(F)F)cc(=O)n2c1NCC2
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)4-3-5(15)14-2-1-13-7(14)6(4)12/h3,13H,1-2,12H2
InChIKeyMRXIHGKNCZEUKW-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.87
Rot. Bonds

About 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 98772517) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID98772517
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESNc1c(C(F)(F)F)cc(=O)n2c1NCC2
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)4-3-5(15)14-2-1-13-7(14)6(4)12/h3,13H,1-2,12H2
InChIKeyMRXIHGKNCZEUKW-UHFFFAOYSA-N
XLogP0.87
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridine-3-carbonitrile
CID 15091360
8-nitro-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251927
1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841608
8-(1-Aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82623915
8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82623916
8-(2-Aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82623917
8-Amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96598300
8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98771746
8-(aminomethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82414601
8-Amino-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96629182
8-amino-7-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98684753
8-amino-7-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98685415

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 98772517) is 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is Nc1c(C(F)(F)F)cc(=O)n2c1NCC2.
What is the InChIKey of 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is MRXIHGKNCZEUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)4-3-5(15)14-2-1-13-7(14)6(4)12/h3,13H,1-2,12H2.
What are the key properties of 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 219.17 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 98772517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).