4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol

C20H14N4O2 — CID 4073929

IUPAC4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)ccc1O
InChIInChI=1S/C20H14N4O2/c1-26-19-8-11(6-7-18(19)25)20-23-16-9-14-15(10-17(16)24-20)22-13-5-3-2-4-12(13)21-14/h2-10,21,25H,1H3
InChIKeyIJXPWRJSJBJMMI-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.04
Rot. Bonds2

About 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol

4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol (PubChem CID 4073929) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol
PubChem CID4073929
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)ccc1O
InChIInChI=1S/C20H14N4O2/c1-26-19-8-11(6-7-18(19)25)20-23-16-9-14-15(10-17(16)24-20)22-13-5-3-2-4-12(13)21-14/h2-10,21,25H,1H3
InChIKeyIJXPWRJSJBJMMI-UHFFFAOYSA-N
XLogP4.04
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol (CID 4073929) is 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol is COc1cc(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)ccc1O.
What is the InChIKey of 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol?
The InChIKey is IJXPWRJSJBJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-26-19-8-11(6-7-18(19)25)20-23-16-9-14-15(10-17(16)24-20)22-13-5-3-2-4-12(13)21-14/h2-10,21,25H,1H3.
What are the key properties of 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol?
4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol has a molecular weight of 342.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10H-imidazo[4,5-b]phenazin-2-yl)-2-methoxyphenol is sourced from PubChem (CID 4073929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).