5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione

C30H23FN4O2 — CID 121330673

IUPAC5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(-n3ccnc3CCc3cccc(F)c3)cc2)c2ccc3ccccc3c2N1
InChIInChI=1S/C30H23FN4O2/c31-22-6-3-4-20(18-22)8-15-27-32-16-17-34(27)23-10-12-24(13-11-23)35-26-14-9-21-5-1-2-7-25(21)30(26)33-28(36)19-29(35)37/h1-7,9-14,16-18H,8,15,19H2,(H,33,36)
InChIKeyZHJSFESDIPFXMB-UHFFFAOYSA-N
MW490.54 g/mol
LogP5.96
Rot. Bonds5

About 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione

5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione (PubChem CID 121330673) has the molecular formula C30H23FN4O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione.

Molecular Properties

Compound Name5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
PubChem CID121330673
Molecular FormulaC30H23FN4O2
Molecular Weight490.54 g/mol
Exact Mass490.18
IUPAC Name5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(-n3ccnc3CCc3cccc(F)c3)cc2)c2ccc3ccccc3c2N1
InChIInChI=1S/C30H23FN4O2/c31-22-6-3-4-20(18-22)8-15-27-32-16-17-34(27)23-10-12-24(13-11-23)35-26-14-9-21-5-1-2-7-25(21)30(26)33-28(36)19-29(35)37/h1-7,9-14,16-18H,8,15,19H2,(H,33,36)
InChIKeyZHJSFESDIPFXMB-UHFFFAOYSA-N
XLogP5.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione 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 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
The IUPAC name of 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione (CID 121330673) is 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione.
What is the SMILES notation for 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
The canonical SMILES for 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione is O=C1CC(=O)N(c2ccc(-n3ccnc3CCc3cccc(F)c3)cc2)c2ccc3ccccc3c2N1.
What is the InChIKey of 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
The InChIKey is ZHJSFESDIPFXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O2/c31-22-6-3-4-20(18-22)8-15-27-32-16-17-34(27)23-10-12-24(13-11-23)35-26-14-9-21-5-1-2-7-25(21)30(26)33-28(36)19-29(35)37/h1-7,9-14,16-18H,8,15,19H2,(H,33,36).
What are the key properties of 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione?
5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione has a molecular weight of 490.54 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2-(3-fluorophenyl)ethyl]imidazol-1-yl]phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione is sourced from PubChem (CID 121330673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).