[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol

C16H17F3N2O — CID 117155042

IUPAC[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2nc(Cc3ccccc3C(F)(F)F)cn21
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)14-6-2-1-4-11(14)8-12-9-21-13(10-22)5-3-7-15(21)20-12/h1-2,4,6,9,13,22H,3,5,7-8,10H2
InChIKeyWLMIMARBOMDMAM-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.36
Rot. Bonds3

About [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol

[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol (PubChem CID 117155042) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
PubChem CID117155042
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2nc(Cc3ccccc3C(F)(F)F)cn21
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)14-6-2-1-4-11(14)8-12-9-21-13(10-22)5-3-7-15(21)20-12/h1-2,4,6,9,13,22H,3,5,7-8,10H2
InChIKeyWLMIMARBOMDMAM-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol?
The IUPAC name of [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol (CID 117155042) is [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol.
What is the SMILES notation for [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol?
The canonical SMILES for [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol is OCC1CCCc2nc(Cc3ccccc3C(F)(F)F)cn21.
What is the InChIKey of [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol?
The InChIKey is WLMIMARBOMDMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c17-16(18,19)14-6-2-1-4-11(14)8-12-9-21-13(10-22)5-3-7-15(21)20-12/h1-2,4,6,9,13,22H,3,5,7-8,10H2.
What are the key properties of [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol?
[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol has a molecular weight of 310.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117155042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).