(4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene

C24H26FN5O2 — CID 143785589

About (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene

(4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene (PubChem CID 143785589) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene.

Molecular Properties

• Compound Name: (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene
• PubChem CID: 143785589
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene
• SMILES: CC(C)c1ccc(F)cc1.COc1cc(/C=C2\N=C(N)NC2=O)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C15H15N5O2.C9H11F/c1-9-7-20(8-17-9)12-4-3-10(6-13(12)22-2)5-11-14(21)19-15(16)18-11;1-7(2)8-3-5-9(10)6-4-8/h3-8H,1-2H3,(H3,16,18,19,21);3-7H,1-2H3/b11-5-
• InChIKey: NMEWDNMBMJINMC-JIBDQCPFSA-N
• XLogP: 3.92
• TPSA: 94.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
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 (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene?

The IUPAC name of (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene (CID 143785589) is (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene.

What is the SMILES notation for (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene?

The canonical SMILES for (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene is CC(C)c1ccc(F)cc1.COc1cc(/C=C2\N=C(N)NC2=O)ccc1-n1cnc(C)c1.

What is the InChIKey of (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene?

The InChIKey is NMEWDNMBMJINMC-JIBDQCPFSA-N. The full InChI is InChI=1S/C15H15N5O2.C9H11F/c1-9-7-20(8-17-9)12-4-3-10(6-13(12)22-2)5-11-14(21)19-15(16)18-11;1-7(2)8-3-5-9(10)6-4-8/h3-8H,1-2H3,(H3,16,18,19,21);3-7H,1-2H3/b11-5-;.

What are the key properties of (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene?

(4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene has a molecular weight of 435.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-2-amino-4-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1H-imidazol-5-one;1-fluoro-4-propan-2-ylbenzene is sourced from PubChem (CID 143785589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).