1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine

C22H20F3N3O2 — CID 152646605

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESCOc1cc(CN2CNc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cc(OC)c1
InChIInChI=1S/C22H20F3N3O2/c1-29-18-6-14(7-19(10-18)30-2)12-28-13-27-21-20(28)9-16(11-26-21)15-4-3-5-17(8-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27)
InChIKeyZGRBDRIMWKDIMW-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.17
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine

1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine (PubChem CID 152646605) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
PubChem CID152646605
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
SMILESCOc1cc(CN2CNc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cc(OC)c1
InChIInChI=1S/C22H20F3N3O2/c1-29-18-6-14(7-19(10-18)30-2)12-28-13-27-21-20(28)9-16(11-26-21)15-4-3-5-17(8-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27)
InChIKeyZGRBDRIMWKDIMW-UHFFFAOYSA-N
XLogP5.17
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine (CID 152646605) is 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine is COc1cc(CN2CNc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
The InChIKey is ZGRBDRIMWKDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-29-18-6-14(7-19(10-18)30-2)12-28-13-27-21-20(28)9-16(11-26-21)15-4-3-5-17(8-15)22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,27).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine?
1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine has a molecular weight of 415.42 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 152646605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).