[3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

C18H15F3N2O2 — CID 52935517

IUPAC[3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccn2c(C(=O)OCc3cccc(C(F)(F)F)c3)c(C)nc2c1
InChIInChI=1S/C18H15F3N2O2/c1-11-6-7-23-15(8-11)22-12(2)16(23)17(24)25-10-13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeySGTCFUACBUNUFP-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.33
Rot. Bonds3

About [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate

[3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 52935517) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID52935517
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccn2c(C(=O)OCc3cccc(C(F)(F)F)c3)c(C)nc2c1
InChIInChI=1S/C18H15F3N2O2/c1-11-6-7-23-15(8-11)22-12(2)16(23)17(24)25-10-13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeySGTCFUACBUNUFP-UHFFFAOYSA-N
XLogP4.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 52935517) is [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is Cc1ccn2c(C(=O)OCc3cccc(C(F)(F)F)c3)c(C)nc2c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is SGTCFUACBUNUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-6-7-23-15(8-11)22-12(2)16(23)17(24)25-10-13-4-3-5-14(9-13)18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
[3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 348.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 52935517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).