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

C9H10F3N3O — CID 98771746

IUPAC8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESNCc1c(C(F)(F)F)cc(=O)n2c1NCC2
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-3-7(16)15-2-1-14-8(15)5(6)4-13/h3,14H,1-2,4,13H2
InChIKeyPPTSJOSCZUCREN-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.75
Rot. Bonds1

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

8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 98771746) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID98771746
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESNCc1c(C(F)(F)F)cc(=O)n2c1NCC2
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)6-3-7(16)15-2-1-14-8(15)5(6)4-13/h3,14H,1-2,4,13H2
InChIKeyPPTSJOSCZUCREN-UHFFFAOYSA-N
XLogP0.75
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.75
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-acetyl-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251928
1-[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16366299
8-propanoyl-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251929
10-(aminomethyl)-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
CID 82623910
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-(3-Aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82626218
8-Amino-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96598300
8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98772517
8-(2,2,2-Trifluoroacetyl)-2,3-dihydroimidazo[1,2-a]pyridin-5(1H)-one
CID 102534381

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 98771746) is 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is NCc1c(C(F)(F)F)cc(=O)n2c1NCC2.
What is the InChIKey of 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is PPTSJOSCZUCREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)6-3-7(16)15-2-1-14-8(15)5(6)4-13/h3,14H,1-2,4,13H2.
What are the key properties of 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 233.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 98771746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).