2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol

C22H17F3N2O2 — CID 146301762

IUPAC2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol
SMILESCOc1ccc(-c2c(C)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1O
InChIInChI=1S/C22H17F3N2O2/c1-13-21(15-6-8-19(29-2)18(28)11-15)27-12-16(7-9-20(27)26-13)14-4-3-5-17(10-14)22(23,24)25/h3-12,28H,1-2H3
InChIKeyWQAYIZURAKDUIU-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.71
Rot. Bonds3

About 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol

2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol (PubChem CID 146301762) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol
PubChem CID146301762
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol
SMILESCOc1ccc(-c2c(C)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1O
InChIInChI=1S/C22H17F3N2O2/c1-13-21(15-6-8-19(29-2)18(28)11-15)27-12-16(7-9-20(27)26-13)14-4-3-5-17(10-14)22(23,24)25/h3-12,28H,1-2H3
InChIKeyWQAYIZURAKDUIU-UHFFFAOYSA-N
XLogP5.71
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol (CID 146301762) is 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol is COc1ccc(-c2c(C)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)cc1O.
What is the InChIKey of 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol?
The InChIKey is WQAYIZURAKDUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c1-13-21(15-6-8-19(29-2)18(28)11-15)27-12-16(7-9-20(27)26-13)14-4-3-5-17(10-14)22(23,24)25/h3-12,28H,1-2H3.
What are the key properties of 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol?
2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol has a molecular weight of 398.38 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenol is sourced from PubChem (CID 146301762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).