(2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine

C30H33FN4 — CID 145034919

About (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine

(2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine (PubChem CID 145034919) has the molecular formula C30H33FN4 and a molecular weight of 468.62 g/mol. Its IUPAC name is (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine.

Molecular Properties

• Compound Name: (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine
• PubChem CID: 145034919
• Molecular Formula: C30H33FN4
• Molecular Weight: 468.62 g/mol
• Exact Mass: 468.27
• IUPAC Name: (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine
• SMILES: C=C/C=C(/c1cccc(F)c1)c1nc(C(=C)C(=C/C(=C)C(=C/C)/C=N/C=C)/C(=C\C)NC)[nH]c1C
• InChI: InChI=1S/C30H33FN4/c1-9-14-26(24-15-13-16-25(31)18-24)29-22(7)34-30(35-29)21(6)27(28(11-3)32-8)17-20(5)23(10-2)19-33-12-4/h9-19,32H,1,4-6H2,2-3,7-8H3,(H,34,35)/b23-10+,26-14-,27-17-,28-11+,33-19+
• InChIKey: JBXGDRICWFDNAV-KHGBAYMKSA-N
• XLogP: 7.25
• TPSA: 53.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.62
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine?

The IUPAC name of (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine (CID 145034919) is (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine.

What is the SMILES notation for (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine?

The canonical SMILES for (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine is C=C/C=C(/c1cccc(F)c1)c1nc(C(=C)C(=C/C(=C)C(=C/C)/C=N/C=C)/C(=C\C)NC)[nH]c1C.

What is the InChIKey of (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine?

The InChIKey is JBXGDRICWFDNAV-KHGBAYMKSA-N. The full InChI is InChI=1S/C30H33FN4/c1-9-14-26(24-15-13-16-25(31)18-24)29-22(7)34-30(35-29)21(6)27(28(11-3)32-8)17-20(5)23(10-2)19-33-12-4/h9-19,32H,1,4-6H2,2-3,7-8H3,(H,34,35)/b23-10+,26-14-,27-17-,28-11+,33-19+.

What are the key properties of (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine?

(2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine has a molecular weight of 468.62 g/mol, XLogP of 7.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z,7Z)-7-(ethenyliminomethyl)-4-[1-[4-[(1Z)-1-(3-fluorophenyl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]ethenyl]-N-methyl-6-methylidenenona-2,4,7-trien-3-amine is sourced from PubChem (CID 145034919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).