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

C21H16N4O — CID 57396109

IUPAC2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C21H16N4O/c1-2-26-14-9-7-13(8-10-14)21-24-19-15-5-3-11-22-17(15)18-16(20(19)25-21)6-4-12-23-18/h3-12H,2H2,1H3,(H,24,25)
InChIKeyMQDMHORITYCADB-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.72
Rot. Bonds3

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

2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 57396109) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID57396109
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C21H16N4O/c1-2-26-14-9-7-13(8-10-14)21-24-19-15-5-3-11-22-17(15)18-16(20(19)25-21)6-4-12-23-18/h3-12H,2H2,1H3,(H,24,25)
InChIKeyMQDMHORITYCADB-UHFFFAOYSA-N
XLogP4.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.72
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-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 57396109) is 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is CCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is MQDMHORITYCADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-26-14-9-7-13(8-10-14)21-24-19-15-5-3-11-22-17(15)18-16(20(19)25-21)6-4-12-23-18/h3-12H,2H2,1H3,(H,24,25).
What are the key properties of 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 340.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 57396109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).