5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one

C20H18F4N2O2 — CID 159860815

About 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one

5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one (PubChem CID 159860815) has the molecular formula C20H18F4N2O2 and a molecular weight of 394.37 g/mol. Its IUPAC name is 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one.

Molecular Properties

• Compound Name: 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one
• PubChem CID: 159860815
• Molecular Formula: C20H18F4N2O2
• Molecular Weight: 394.37 g/mol
• Exact Mass: 394.13
• IUPAC Name: 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one
• SMILES: CC1=NC(c2ccc(OC(C)F)c(C)c2)(c2cc(F)c(F)c(F)c2)C(=O)N1C
• InChI: InChI=1S/C20H18F4N2O2/c1-10-7-13(5-6-17(10)28-11(2)21)20(19(27)26(4)12(3)25-20)14-8-15(22)18(24)16(23)9-14/h5-9,11H,1-4H3
• InChIKey: NRCSIYWRGBBVNJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 41.90 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.37
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one?

The IUPAC name of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one (CID 159860815) is 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one.

What is the SMILES notation for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one?

The canonical SMILES for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one is CC1=NC(c2ccc(OC(C)F)c(C)c2)(c2cc(F)c(F)c(F)c2)C(=O)N1C.

What is the InChIKey of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one?

The InChIKey is NRCSIYWRGBBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O2/c1-10-7-13(5-6-17(10)28-11(2)21)20(19(27)26(4)12(3)25-20)14-8-15(22)18(24)16(23)9-14/h5-9,11H,1-4H3.

What are the key properties of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one?

5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one has a molecular weight of 394.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorophenyl)imidazol-4-one is sourced from PubChem (CID 159860815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).