4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol

C19H16N4O — CID 70687050

IUPAC4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C19H16N4O/c24-16-10-8-15(9-11-16)21-19-22-18-17(7-4-12-20-18)23(19)13-14-5-2-1-3-6-14/h1-12,24H,13H2,(H,20,21,22)
InChIKeyNKMNRCDXDLPHLV-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.93
Rot. Bonds4

About 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol

4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol (PubChem CID 70687050) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol
PubChem CID70687050
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol
SMILESOc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C19H16N4O/c24-16-10-8-15(9-11-16)21-19-22-18-17(7-4-12-20-18)23(19)13-14-5-2-1-3-6-14/h1-12,24H,13H2,(H,20,21,22)
InChIKeyNKMNRCDXDLPHLV-UHFFFAOYSA-N
XLogP3.93
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol?
The IUPAC name of 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol (CID 70687050) is 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol.
What is the SMILES notation for 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol?
The canonical SMILES for 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol is Oc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol?
The InChIKey is NKMNRCDXDLPHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-16-10-8-15(9-11-16)21-19-22-18-17(7-4-12-20-18)23(19)13-14-5-2-1-3-6-14/h1-12,24H,13H2,(H,20,21,22).
What are the key properties of 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol?
4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol has a molecular weight of 316.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol is sourced from PubChem (CID 70687050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).