2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C17H19N3O — CID 860271

IUPAC2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCC(C)(C)Nc1c(-c2ccccc2O)nc2ccccn12
InChIInChI=1S/C17H19N3O/c1-17(2,3)19-16-15(12-8-4-5-9-13(12)21)18-14-10-6-7-11-20(14)16/h4-11,19,21H,1-3H3
InChIKeyAJTPTMPWQUUAPD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.92
Rot. Bonds2

About 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol

2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 860271) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID860271
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCC(C)(C)Nc1c(-c2ccccc2O)nc2ccccn12
InChIInChI=1S/C17H19N3O/c1-17(2,3)19-16-15(12-8-4-5-9-13(12)21)18-14-10-6-7-11-20(14)16/h4-11,19,21H,1-3H3
InChIKeyAJTPTMPWQUUAPD-UHFFFAOYSA-N
XLogP3.92
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 860271) is 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol is CC(C)(C)Nc1c(-c2ccccc2O)nc2ccccn12.
What is the InChIKey of 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is AJTPTMPWQUUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(2,3)19-16-15(12-8-4-5-9-13(12)21)18-14-10-6-7-11-20(14)16/h4-11,19,21H,1-3H3.
What are the key properties of 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 860271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).