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

C19H11ClN4 — CID 15376894

IUPAC2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESClc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C19H11ClN4/c20-12-5-1-4-11(10-12)19-23-17-13-6-2-8-21-15(13)16-14(18(17)24-19)7-3-9-22-16/h1-10H,(H,23,24)
InChIKeyOVECUCYDZIATRK-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.98
Rot. Bonds1

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

2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 15376894) has the molecular formula C19H11ClN4 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID15376894
Molecular FormulaC19H11ClN4
Molecular Weight330.78 g/mol
Exact Mass330.07
IUPAC Name2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESClc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C19H11ClN4/c20-12-5-1-4-11(10-12)19-23-17-13-6-2-8-21-15(13)16-14(18(17)24-19)7-3-9-22-16/h1-10H,(H,23,24)
InChIKeyOVECUCYDZIATRK-UHFFFAOYSA-N
XLogP4.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 15376894) is 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is Clc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is OVECUCYDZIATRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4/c20-12-5-1-4-11(10-12)19-23-17-13-6-2-8-21-15(13)16-14(18(17)24-19)7-3-9-22-16/h1-10H,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline?
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 330.78 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 15376894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).