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

C19H11BrN4 — CID 46866549

IUPAC2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESBrc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C19H11BrN4/c20-12-7-5-11(6-8-12)19-23-17-13-3-1-9-21-15(13)16-14(18(17)24-19)4-2-10-22-16/h1-10H,(H,23,24)
InChIKeyABMIIPLFOFMYRH-UHFFFAOYSA-N
MW375.23 g/mol
LogP5.09
Rot. Bonds1

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

2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 46866549) has the molecular formula C19H11BrN4 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID46866549
Molecular FormulaC19H11BrN4
Molecular Weight375.23 g/mol
Exact Mass374.02
IUPAC Name2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESBrc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
InChIInChI=1S/C19H11BrN4/c20-12-7-5-11(6-8-12)19-23-17-13-3-1-9-21-15(13)16-14(18(17)24-19)4-2-10-22-16/h1-10H,(H,23,24)
InChIKeyABMIIPLFOFMYRH-UHFFFAOYSA-N
XLogP5.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.23
LogP ≤ 55.09
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-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 46866549) is 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is ABMIIPLFOFMYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrN4/c20-12-7-5-11(6-8-12)19-23-17-13-3-1-9-21-15(13)16-14(18(17)24-19)4-2-10-22-16/h1-10H,(H,23,24).
What are the key properties of 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 375.23 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 46866549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).