2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline

C20H14N4O — CID 58250269

IUPAC2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCOc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C20H14N4O/c1-25-13-6-2-5-12(11-13)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17/h2-11H,1H3,(H,23,24)
InChIKeyGLCNCTNEOGNWKV-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.33
Rot. Bonds2

About 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 58250269) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID58250269
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCOc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C20H14N4O/c1-25-13-6-2-5-12(11-13)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17/h2-11H,1H3,(H,23,24)
InChIKeyGLCNCTNEOGNWKV-UHFFFAOYSA-N
XLogP4.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 58250269) is 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is COc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is GLCNCTNEOGNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-25-13-6-2-5-12(11-13)20-23-18-14-7-3-9-21-16(14)17-15(19(18)24-20)8-4-10-22-17/h2-11H,1H3,(H,23,24).
What are the key properties of 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 326.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 58250269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).