N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide

C28H32N4O2S — CID 16994913

About N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide

N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (PubChem CID 16994913) has the molecular formula C28H32N4O2S and a molecular weight of 488.66 g/mol. Its IUPAC name is N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
• PubChem CID: 16994913
• Molecular Formula: C28H32N4O2S
• Molecular Weight: 488.66 g/mol
• Exact Mass: 488.22
• IUPAC Name: N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
• SMILES: CC(C)N(C(=O)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21)c1ccccc1
• InChI: InChI=1S/C28H32N4O2S/c1-21(2)32(22-12-5-3-6-13-22)27(33)20-31-24-15-9-8-14-23(24)30-26(31)17-7-4-10-18-29-28(34)25-16-11-19-35-25/h3,5-6,8-9,11-16,19,21H,4,7,10,17-18,20H2,1-2H3,(H,29,34)
• InChIKey: RIWCUWURRZQVOG-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.66
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?

The IUPAC name of N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide (CID 16994913) is N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is CC(C)N(C(=O)Cn1c(CCCCCNC(=O)c2cccs2)nc2ccccc21)c1ccccc1.

What is the InChIKey of N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?

The InChIKey is RIWCUWURRZQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2S/c1-21(2)32(22-12-5-3-6-13-22)27(33)20-31-24-15-9-8-14-23(24)30-26(31)17-7-4-10-18-29-28(34)25-16-11-19-35-25/h3,5-6,8-9,11-16,19,21H,4,7,10,17-18,20H2,1-2H3,(H,29,34).

What are the key properties of N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide?

N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide has a molecular weight of 488.66 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide is sourced from PubChem (CID 16994913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).