(6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one

C25H24FN5O2 — CID 25186150

About (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one

(6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one (PubChem CID 25186150) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one.

Molecular Properties

• Compound Name: (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one
• PubChem CID: 25186150
• Molecular Formula: C25H24FN5O2
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.19
• IUPAC Name: (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one
• SMILES: CCN1CC(c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12
• InChI: InChI=1S/C25H24FN5O2/c1-4-29-14-22(18-6-8-19(26)9-7-18)31-24(32)20(28-25(29)31)11-17-5-10-21(23(12-17)33-3)30-13-16(2)27-15-30/h5-13,15,22H,4,14H2,1-3H3/b20-11-
• InChIKey: NVUWOZMHNGMBRF-JAIQZWGSSA-N
• XLogP: 3.94
• TPSA: 62.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one?

The IUPAC name of (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one (CID 25186150) is (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one.

What is the SMILES notation for (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one?

The canonical SMILES for (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one is CCN1CC(c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)N=C12.

What is the InChIKey of (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one?

The InChIKey is NVUWOZMHNGMBRF-JAIQZWGSSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-4-29-14-22(18-6-8-19(26)9-7-18)31-24(32)20(28-25(29)31)11-17-5-10-21(23(12-17)33-3)30-13-16(2)27-15-30/h5-13,15,22H,4,14H2,1-3H3/b20-11-.

What are the key properties of (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one?

(6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one has a molecular weight of 445.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one is sourced from PubChem (CID 25186150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).