[2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol

C23H23F3N2O2 — CID 177207746

IUPAC[2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(-c3ccc(CCc4cccc(OC(F)(F)F)c4)cc3)cn2C1
InChIInChI=1S/C23H23F3N2O2/c24-23(25,26)30-20-3-1-2-17(12-20)5-4-16-6-9-19(10-7-16)21-14-28-13-18(15-29)8-11-22(28)27-21/h1-3,6-7,9-10,12,14,18,29H,4-5,8,11,13,15H2
InChIKeyRVMBWRCBUDGSLR-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.79
Rot. Bonds6

About [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol

[2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 177207746) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
PubChem CID177207746
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name[2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(-c3ccc(CCc4cccc(OC(F)(F)F)c4)cc3)cn2C1
InChIInChI=1S/C23H23F3N2O2/c24-23(25,26)30-20-3-1-2-17(12-20)5-4-16-6-9-19(10-7-16)21-14-28-13-18(15-29)8-11-22(28)27-21/h1-3,6-7,9-10,12,14,18,29H,4-5,8,11,13,15H2
InChIKeyRVMBWRCBUDGSLR-UHFFFAOYSA-N
XLogP4.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol with MolForge

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Related Compounds

3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
CID 117153662
2-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
CID 117153676
[2-(2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153670
[2-(2-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153672
[2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153628
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 117128652
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
6-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154569
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole
CID 123966991

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
The IUPAC name of [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol (CID 177207746) is [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol.
What is the SMILES notation for [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
The canonical SMILES for [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol is OCC1CCc2nc(-c3ccc(CCc4cccc(OC(F)(F)F)c4)cc3)cn2C1.
What is the InChIKey of [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
The InChIKey is RVMBWRCBUDGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c24-23(25,26)30-20-3-1-2-17(12-20)5-4-16-6-9-19(10-7-16)21-14-28-13-18(15-29)8-11-22(28)27-21/h1-3,6-7,9-10,12,14,18,29H,4-5,8,11,13,15H2.
What are the key properties of [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol?
[2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 416.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 177207746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).