2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline

C21H17N5 — CID 175822709

IUPAC2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C21H17N5/c1-26(2)16-10-4-3-7-13(16)21-24-19-14-8-5-11-22-17(14)18-15(20(19)25-21)9-6-12-23-18/h3-12H,1-2H3,(H,24,25)
InChIKeyMXFFDBFOCXICIZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.39
Rot. Bonds2

About 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline

2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline (PubChem CID 175822709) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
PubChem CID175822709
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C21H17N5/c1-26(2)16-10-4-3-7-13(16)21-24-19-14-8-5-11-22-17(14)18-15(20(19)25-21)9-6-12-23-18/h3-12H,1-2H3,(H,24,25)
InChIKeyMXFFDBFOCXICIZ-UHFFFAOYSA-N
XLogP4.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.39
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-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline (CID 175822709) is 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline is CN(C)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.
What is the InChIKey of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline?
The InChIKey is MXFFDBFOCXICIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-26(2)16-10-4-3-7-13(16)21-24-19-14-8-5-11-22-17(14)18-15(20(19)25-21)9-6-12-23-18/h3-12H,1-2H3,(H,24,25).
What are the key properties of 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline?
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline has a molecular weight of 339.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 175822709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).