(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

C21H22N2O3 — CID 10981013

IUPAC(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
SMILESO[C@H]1Cn2ccnc2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H22N2O3/c24-18-13-23-12-11-22-21(23)20(26-15-17-9-5-2-6-10-17)19(18)25-14-16-7-3-1-4-8-16/h1-12,18-20,24H,13-15H2/t18-,19-,20+/m0/s1
InChIKeyUNJHTFGJBAJIKS-SLFFLAALSA-N
MW350.42 g/mol
LogP3.10
Rot. Bonds6

About (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol

(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol (PubChem CID 10981013) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
PubChem CID10981013
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
SMILESO[C@H]1Cn2ccnc2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H22N2O3/c24-18-13-23-12-11-22-21(23)20(26-15-17-9-5-2-6-10-17)19(18)25-14-16-7-3-1-4-8-16/h1-12,18-20,24H,13-15H2/t18-,19-,20+/m0/s1
InChIKeyUNJHTFGJBAJIKS-SLFFLAALSA-N
XLogP3.10
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol with MolForge

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Related Compounds

[(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol
CID 101239739
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
CID 101185252
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 15720249
(6S,7S,8S)-6,7,8-tris(phenylmethoxy)-2-(3-phenylprop-1-ynyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 11563051
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418

Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The IUPAC name of (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol (CID 10981013) is (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol is O[C@H]1Cn2ccnc2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The InChIKey is UNJHTFGJBAJIKS-SLFFLAALSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-18-13-23-12-11-22-21(23)20(26-15-17-9-5-2-6-10-17)19(18)25-14-16-7-3-1-4-8-16/h1-12,18-20,24H,13-15H2/t18-,19-,20+/m0/s1.
What are the key properties of (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
(6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol has a molecular weight of 350.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-7,8-bis(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 10981013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).