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

C14H17N3O — CID 101185252

IUPAC(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
SMILESO[C@@H]1C[C@H](NCc2ccccc2)c2nccn2C1
InChIInChI=1S/C14H17N3O/c18-12-8-13(14-15-6-7-17(14)10-12)16-9-11-4-2-1-3-5-11/h1-7,12-13,16,18H,8-10H2/t12-,13+/m1/s1
InChIKeyMUWWELBHJNLNAD-OLZOCXBDSA-N
MW243.31 g/mol
LogP1.48
Rot. Bonds3

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

(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol (PubChem CID 101185252) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
PubChem CID101185252
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol
SMILESO[C@@H]1C[C@H](NCc2ccccc2)c2nccn2C1
InChIInChI=1S/C14H17N3O/c18-12-8-13(14-15-6-7-17(14)10-12)16-9-11-4-2-1-3-5-11/h1-7,12-13,16,18H,8-10H2/t12-,13+/m1/s1
InChIKeyMUWWELBHJNLNAD-OLZOCXBDSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The IUPAC name of (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol (CID 101185252) is (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol is O[C@@H]1C[C@H](NCc2ccccc2)c2nccn2C1.
What is the InChIKey of (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
The InChIKey is MUWWELBHJNLNAD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17N3O/c18-12-8-13(14-15-6-7-17(14)10-12)16-9-11-4-2-1-3-5-11/h1-7,12-13,16,18H,8-10H2/t12-,13+/m1/s1.
What are the key properties of (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol?
(6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol has a molecular weight of 243.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-8-(benzylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 101185252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).