3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide

C28H29N3O — CID 16986040

About 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide

3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 16986040) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

• Compound Name: 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
• PubChem CID: 16986040
• Molecular Formula: C28H29N3O
• Molecular Weight: 423.56 g/mol
• Exact Mass: 423.23
• IUPAC Name: 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
• SMILES: O=C(CCc1ccccc1)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1
• InChI: InChI=1S/C28H29N3O/c32-28(20-19-24-13-5-2-6-14-24)29-21-9-18-27-30-25-16-7-8-17-26(25)31(27)22-10-15-23-11-3-1-4-12-23/h1-8,10-17H,9,18-22H2,(H,29,32)/b15-10+
• InChIKey: WBCIOJXDSWUVNY-XNTDXEJSSA-N
• XLogP: 5.43
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?

The IUPAC name of 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide (CID 16986040) is 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide.

What is the SMILES notation for 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?

The canonical SMILES for 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide is O=C(CCc1ccccc1)NCCCc1nc2ccccc2n1C/C=C/c1ccccc1.

What is the InChIKey of 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?

The InChIKey is WBCIOJXDSWUVNY-XNTDXEJSSA-N. The full InChI is InChI=1S/C28H29N3O/c32-28(20-19-24-13-5-2-6-14-24)29-21-9-18-27-30-25-16-7-8-17-26(25)31(27)22-10-15-23-11-3-1-4-12-23/h1-8,10-17H,9,18-22H2,(H,29,32)/b15-10+.

What are the key properties of 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide?

3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16986040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).