4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol

C15H15N3O — CID 115572847

IUPAC4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H15N3O/c19-14-6-4-12(5-7-14)9-16-10-13-11-18-8-2-1-3-15(18)17-13/h1-8,11,16,19H,9-10H2
InChIKeyQTPJPANPEOPGLH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.33
Rot. Bonds4

About 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol

4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol (PubChem CID 115572847) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
PubChem CID115572847
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H15N3O/c19-14-6-4-12(5-7-14)9-16-10-13-11-18-8-2-1-3-15(18)17-13/h1-8,11,16,19H,9-10H2
InChIKeyQTPJPANPEOPGLH-UHFFFAOYSA-N
XLogP2.33
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol?
The IUPAC name of 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol (CID 115572847) is 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol is Oc1ccc(CNCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol?
The InChIKey is QTPJPANPEOPGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-14-6-4-12(5-7-14)9-16-10-13-11-18-8-2-1-3-15(18)17-13/h1-8,11,16,19H,9-10H2.
What are the key properties of 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol?
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol has a molecular weight of 253.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 115572847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).