3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine

C18H17F3N2O — CID 70863264

IUPAC3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCc1cccc(-c2c(C(F)(F)F)nc3cc(OC)ccn23)c1C
InChIInChI=1S/C18H17F3N2O/c1-4-12-6-5-7-14(11(12)2)16-17(18(19,20)21)22-15-10-13(24-3)8-9-23(15)16/h5-10H,4H2,1-3H3
InChIKeyHAVFKTQRMUKIIR-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.90
Rot. Bonds3

About 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine

3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 70863264) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID70863264
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCc1cccc(-c2c(C(F)(F)F)nc3cc(OC)ccn23)c1C
InChIInChI=1S/C18H17F3N2O/c1-4-12-6-5-7-14(11(12)2)16-17(18(19,20)21)22-15-10-13(24-3)8-9-23(15)16/h5-10H,4H2,1-3H3
InChIKeyHAVFKTQRMUKIIR-UHFFFAOYSA-N
XLogP4.90
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 70863264) is 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine is CCc1cccc(-c2c(C(F)(F)F)nc3cc(OC)ccn23)c1C.
What is the InChIKey of 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is HAVFKTQRMUKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c1-4-12-6-5-7-14(11(12)2)16-17(18(19,20)21)22-15-10-13(24-3)8-9-23(15)16/h5-10H,4H2,1-3H3.
What are the key properties of 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 334.34 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-methylphenyl)-7-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 70863264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).