4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol

C17H18ClN3O — CID 860281

IUPAC4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H18ClN3O/c1-17(2,3)20-16-15(11-4-7-13(22)8-5-11)19-14-9-6-12(18)10-21(14)16/h4-10,20,22H,1-3H3
InChIKeyWIHOVZUPQKTPJM-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.57
Rot. Bonds2

About 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol

4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 860281) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID860281
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H18ClN3O/c1-17(2,3)20-16-15(11-4-7-13(22)8-5-11)19-14-9-6-12(18)10-21(14)16/h4-10,20,22H,1-3H3
InChIKeyWIHOVZUPQKTPJM-UHFFFAOYSA-N
XLogP4.57
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol (CID 860281) is 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol is CC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is WIHOVZUPQKTPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-17(2,3)20-16-15(11-4-7-13(22)8-5-11)19-14-9-6-12(18)10-21(14)16/h4-10,20,22H,1-3H3.
What are the key properties of 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 315.80 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 860281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).