2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide

C28H37ClN4O2 — CID 16993774

About 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide

2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993774) has the molecular formula C28H37ClN4O2 and a molecular weight of 497.08 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
• PubChem CID: 16993774
• Molecular Formula: C28H37ClN4O2
• Molecular Weight: 497.08 g/mol
• Exact Mass: 496.26
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
• SMILES: CCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21
• InChI: InChI=1S/C28H37ClN4O2/c1-3-18-32(19-4-2)28(35)21-33-25-15-10-9-14-24(25)31-26(33)16-6-5-11-17-30-27(34)20-22-12-7-8-13-23(22)29/h7-10,12-15H,3-6,11,16-21H2,1-2H3,(H,30,34)
• InChIKey: OOPDDRPLGHOIOR-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.08
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide (CID 16993774) is 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide is CCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)Cc2ccccc2Cl)nc2ccccc21.

What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?

The InChIKey is OOPDDRPLGHOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O2/c1-3-18-32(19-4-2)28(35)21-33-25-15-10-9-14-24(25)31-26(33)16-6-5-11-17-30-27(34)20-22-12-7-8-13-23(22)29/h7-10,12-15H,3-6,11,16-21H2,1-2H3,(H,30,34).

What are the key properties of 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide?

2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 497.08 g/mol, XLogP of 5.41, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).