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

C11H14F3N3O — CID 82623915

IUPAC8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCC(N)c1c(C(F)(F)F)cc(=O)n2c1N(C)CC2
InChIInChI=1S/C11H14F3N3O/c1-6(15)9-7(11(12,13)14)5-8(18)17-4-3-16(2)10(9)17/h5-6H,3-4,15H2,1-2H3
InChIKeyCJZXZOBMKZHVSC-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.34
Rot. Bonds1

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

8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 82623915) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID82623915
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCC(N)c1c(C(F)(F)F)cc(=O)n2c1N(C)CC2
InChIInChI=1S/C11H14F3N3O/c1-6(15)9-7(11(12,13)14)5-8(18)17-4-3-16(2)10(9)17/h5-6H,3-4,15H2,1-2H3
InChIKeyCJZXZOBMKZHVSC-UHFFFAOYSA-N
XLogP1.34
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.34
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-(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-(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
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
8-(3-Aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96606998

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 82623915) is 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CC(N)c1c(C(F)(F)F)cc(=O)n2c1N(C)CC2.
What is the InChIKey of 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is CJZXZOBMKZHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(15)9-7(11(12,13)14)5-8(18)17-4-3-16(2)10(9)17/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-(1-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 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 82623915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).