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

C20H14N4 — CID 50916710

IUPAC2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C20H14N4/c1-12-6-8-13(9-7-12)20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17/h2-11H,1H3,(H,23,24)
InChIKeyIMFIANATLACFFL-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.63
Rot. Bonds1

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

2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 50916710) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID50916710
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C20H14N4/c1-12-6-8-13(9-7-12)20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17/h2-11H,1H3,(H,23,24)
InChIKeyIMFIANATLACFFL-UHFFFAOYSA-N
XLogP4.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 50916710) is 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is Cc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is IMFIANATLACFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c1-12-6-8-13(9-7-12)20-23-18-14-4-2-10-21-16(14)17-15(19(18)24-20)5-3-11-22-17/h2-11H,1H3,(H,23,24).
What are the key properties of 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 310.36 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 50916710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).