[4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine

C35H35FN4 — CID 177142915

About [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine

[4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine (PubChem CID 177142915) has the molecular formula C35H35FN4 and a molecular weight of 530.69 g/mol. Its IUPAC name is [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine.

Molecular Properties

• Compound Name: [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine
• PubChem CID: 177142915
• Molecular Formula: C35H35FN4
• Molecular Weight: 530.69 g/mol
• Exact Mass: 530.28
• IUPAC Name: [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine
• SMILES: [H]/N=C(\c1ccccc1C)c1ccc(CN2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1C
• InChI: InChI=1S/C35H35FN4/c1-24-8-3-4-11-30(24)34(37)31-15-14-27(20-25(31)2)22-39-18-16-28(17-19-39)35-38-32-12-5-6-13-33(32)40(35)23-26-9-7-10-29(36)21-26/h3-15,20-21,28,37H,16-19,22-23H2,1-2H3/b37-34+
• InChIKey: JLHOHPXICXTMDJ-NFSLGCCLSA-N
• XLogP: 7.64
• TPSA: 44.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.69
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine?

The IUPAC name of [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine (CID 177142915) is [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine.

What is the SMILES notation for [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine?

The canonical SMILES for [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine is [H]/N=C(\c1ccccc1C)c1ccc(CN2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1C.

What is the InChIKey of [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine?

The InChIKey is JLHOHPXICXTMDJ-NFSLGCCLSA-N. The full InChI is InChI=1S/C35H35FN4/c1-24-8-3-4-11-30(24)34(37)31-15-14-27(20-25(31)2)22-39-18-16-28(17-19-39)35-38-32-12-5-6-13-33(32)40(35)23-26-9-7-10-29(36)21-26/h3-15,20-21,28,37H,16-19,22-23H2,1-2H3/b37-34+.

What are the key properties of [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine?

[4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine has a molecular weight of 530.69 g/mol, XLogP of 7.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-2-methylphenyl]-(2-methylphenyl)methanimine is sourced from PubChem (CID 177142915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).