[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate

C17H14F3N3O2 — CID 852397

IUPAC[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-22(2)16(24)25-13-6-3-11(4-7-13)14-10-23-9-12(17(18,19)20)5-8-15(23)21-14/h3-10H,1-2H3
InChIKeyPHLZGTFMDLJGLR-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.08
Rot. Bonds2

About [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate

[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate (PubChem CID 852397) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate
PubChem CID852397
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-22(2)16(24)25-13-6-3-11(4-7-13)14-10-23-9-12(17(18,19)20)5-8-15(23)21-14/h3-10H,1-2H3
InChIKeyPHLZGTFMDLJGLR-UHFFFAOYSA-N
XLogP4.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate (CID 852397) is [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1.
What is the InChIKey of [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
The InChIKey is PHLZGTFMDLJGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-22(2)16(24)25-13-6-3-11(4-7-13)14-10-23-9-12(17(18,19)20)5-8-15(23)21-14/h3-10H,1-2H3.
What are the key properties of [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate?
[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate has a molecular weight of 349.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 852397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).