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

C11H14F3N3O — CID 82623916

IUPAC8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESNCCCc1c(C(F)(F)F)cc(=O)n2c1NCC2
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-6-9(18)17-5-4-16-10(17)7(8)2-1-3-15/h6,16H,1-5,15H2
InChIKeyHHVJBCNJALDOHO-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.18
Rot. Bonds3

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

8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 82623916) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID82623916
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESNCCCc1c(C(F)(F)F)cc(=O)n2c1NCC2
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-6-9(18)17-5-4-16-10(17)7(8)2-1-3-15/h6,16H,1-5,15H2
InChIKeyHHVJBCNJALDOHO-UHFFFAOYSA-N
XLogP1.18
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-(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-(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-(3-Aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96595271
8-(2-Aminoethyl)-1-methyl-7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96595272
8-(3-Aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96606998
8-(2-Aminoethyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96607003

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 82623916) is 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is NCCCc1c(C(F)(F)F)cc(=O)n2c1NCC2.
What is the InChIKey of 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is HHVJBCNJALDOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-6-9(18)17-5-4-16-10(17)7(8)2-1-3-15/h6,16H,1-5,15H2.
What are the key properties of 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 261.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 82623916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).