5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione

C22H18F4N4O4 — CID 46692423

About 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 46692423) has the molecular formula C22H18F4N4O4 and a molecular weight of 478.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 46692423
• Molecular Formula: C22H18F4N4O4
• Molecular Weight: 478.40 g/mol
• Exact Mass: 478.13
• IUPAC Name: 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione
• SMILES: CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)CC2C(F)(F)F)C1=O
• InChI: InChI=1S/C22H18F4N4O4/c1-21(12-6-8-13(23)9-7-12)19(33)29(20(34)28-21)11-18(32)30-15-5-3-2-4-14(15)27-17(31)10-16(30)22(24,25)26/h2-9,16H,10-11H2,1H3,(H,27,31)(H,28,34)
• InChIKey: JTUIZOCMPWTTMS-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.40
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione (CID 46692423) is 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)CC2C(F)(F)F)C1=O.

What is the InChIKey of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is JTUIZOCMPWTTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O4/c1-21(12-6-8-13(23)9-7-12)19(33)29(20(34)28-21)11-18(32)30-15-5-3-2-4-14(15)27-17(31)10-16(30)22(24,25)26/h2-9,16H,10-11H2,1H3,(H,27,31)(H,28,34).

What are the key properties of 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione?

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 478.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46692423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).