(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide

C32H31N3O — CID 16992712

About (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide

(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide (PubChem CID 16992712) has the molecular formula C32H31N3O and a molecular weight of 473.62 g/mol. Its IUPAC name is (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
• PubChem CID: 16992712
• Molecular Formula: C32H31N3O
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.25
• IUPAC Name: (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
• SMILES: O=C(/C=C/c1ccccc1)NCCCCCc1nc2ccccc2n1Cc1cccc2ccccc12
• InChI: InChI=1S/C32H31N3O/c36-32(22-21-25-12-3-1-4-13-25)33-23-10-2-5-20-31-34-29-18-8-9-19-30(29)35(31)24-27-16-11-15-26-14-6-7-17-28(26)27/h1,3-4,6-9,11-19,21-22H,2,5,10,20,23-24H2,(H,33,36)/b22-21+
• InChIKey: LDEJHQUBVJMERN-QURGRASLSA-N
• XLogP: 6.78
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?

The IUPAC name of (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide (CID 16992712) is (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide.

What is the SMILES notation for (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?

The canonical SMILES for (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCCCc1nc2ccccc2n1Cc1cccc2ccccc12.

What is the InChIKey of (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?

The InChIKey is LDEJHQUBVJMERN-QURGRASLSA-N. The full InChI is InChI=1S/C32H31N3O/c36-32(22-21-25-12-3-1-4-13-25)33-23-10-2-5-20-31-34-29-18-8-9-19-30(29)35(31)24-27-16-11-15-26-14-6-7-17-28(26)27/h1,3-4,6-9,11-19,21-22H,2,5,10,20,23-24H2,(H,33,36)/b22-21+.

What are the key properties of (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide?

(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide has a molecular weight of 473.62 g/mol, XLogP of 6.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16992712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).