(2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine

C35H36FN5 — CID 145033728

About (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine

(2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine (PubChem CID 145033728) has the molecular formula C35H36FN5 and a molecular weight of 545.71 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine.

Molecular Properties

• Compound Name: (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine
• PubChem CID: 145033728
• Molecular Formula: C35H36FN5
• Molecular Weight: 545.71 g/mol
• Exact Mass: 545.30
• IUPAC Name: (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine
• SMILES: C=C/C(=C\C(=C/C)C(=C)/C=C(Cc1nc2c(-c3ccc(F)cc3)nccc2[nH]1)/C(N)=C\C)CNCc1ccccc1
• InChI: InChI=1S/C35H36FN5/c1-5-25(22-38-23-26-11-9-8-10-12-26)20-27(6-2)24(4)19-29(31(37)7-3)21-33-40-32-17-18-39-34(35(32)41-33)28-13-15-30(36)16-14-28/h5-20,38H,1,4,21-23,37H2,2-3H3,(H,40,41)/b25-20+,27-6+,29-19-,31-7+
• InChIKey: OYXGUKXSLRDGEF-YTOXAZTGSA-N
• XLogP: 7.50
• TPSA: 79.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.71
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine?

The IUPAC name of (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine (CID 145033728) is (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine.

What is the SMILES notation for (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine?

The canonical SMILES for (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine is C=C/C(=C\C(=C/C)C(=C)/C=C(Cc1nc2c(-c3ccc(F)cc3)nccc2[nH]1)/C(N)=C\C)CNCc1ccccc1.

What is the InChIKey of (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine?

The InChIKey is OYXGUKXSLRDGEF-YTOXAZTGSA-N. The full InChI is InChI=1S/C35H36FN5/c1-5-25(22-38-23-26-11-9-8-10-12-26)20-27(6-2)24(4)19-29(31(37)7-3)21-33-40-32-17-18-39-34(35(32)41-33)28-13-15-30(36)16-14-28/h5-20,38H,1,4,21-23,37H2,2-3H3,(H,40,41)/b25-20+,27-6+,29-19-,31-7+.

What are the key properties of (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine?

(2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine has a molecular weight of 545.71 g/mol, XLogP of 7.50, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6Z,8E)-1-N-benzyl-2-ethenyl-4-ethylidene-7-[[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-5-methylidenedeca-2,6,8-triene-1,8-diamine is sourced from PubChem (CID 145033728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).