8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C11H14F3N3O — CID 82623917

IUPAC8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(CCN)c(C(F)(F)F)cc2=O
InChIInChI=1S/C11H14F3N3O/c1-16-4-5-17-9(18)6-8(11(12,13)14)7(2-3-15)10(16)17/h6H,2-5,15H2,1H3
InChIKeyQCYBZZHSXYTINR-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.82
Rot. Bonds2

About 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 82623917) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID82623917
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(CCN)c(C(F)(F)F)cc2=O
InChIInChI=1S/C11H14F3N3O/c1-16-4-5-17-9(18)6-8(11(12,13)14)7(2-3-15)10(16)17/h6H,2-5,15H2,1H3
InChIKeyQCYBZZHSXYTINR-UHFFFAOYSA-N
XLogP0.82
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-acetyl-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251928
8-propanoyl-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251929
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-(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-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98771746
8-amino-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98772517
(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one
CID 148531635
7-methyl-8-prop-2-enyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10559582
8-(Aminomethyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82401844
8-(3-Aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96595271

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 82623917) is 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CN1CCn2c1c(CCN)c(C(F)(F)F)cc2=O.
What is the InChIKey of 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is QCYBZZHSXYTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-16-4-5-17-9(18)6-8(11(12,13)14)7(2-3-15)10(16)17/h6H,2-5,15H2,1H3.
What are the key properties of 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 261.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 82623917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).