2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C17H18BrN3O — CID 71596217

IUPAC2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Br)cn12
InChIInChI=1S/C17H18BrN3O/c1-17(2,3)20-16-15(12-6-4-5-7-13(12)22)19-14-9-8-11(18)10-21(14)16/h4-10,20,22H,1-3H3
InChIKeyVRFAXAUHMPISDV-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.68
Rot. Bonds2

About 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol

2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 71596217) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID71596217
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Br)cn12
InChIInChI=1S/C17H18BrN3O/c1-17(2,3)20-16-15(12-6-4-5-7-13(12)22)19-14-9-8-11(18)10-21(14)16/h4-10,20,22H,1-3H3
InChIKeyVRFAXAUHMPISDV-UHFFFAOYSA-N
XLogP4.68
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 71596217) is 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol is CC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Br)cn12.
What is the InChIKey of 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is VRFAXAUHMPISDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-17(2,3)20-16-15(12-6-4-5-7-13(12)22)19-14-9-8-11(18)10-21(14)16/h4-10,20,22H,1-3H3.
What are the key properties of 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 360.26 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 71596217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).