N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide

C29H40N4O2 — CID 16989724

About N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide

N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide (PubChem CID 16989724) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
• PubChem CID: 16989724
• Molecular Formula: C29H40N4O2
• Molecular Weight: 476.67 g/mol
• Exact Mass: 476.32
• IUPAC Name: N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
• SMILES: CCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
• InChI: InChI=1S/C29H40N4O2/c1-5-18-32(19-6-2)28(34)21-33-26-13-10-9-12-25(26)31-27(33)14-8-7-11-17-30-29(35)24-16-15-22(3)20-23(24)4/h9-10,12-13,15-16,20H,5-8,11,14,17-19,21H2,1-4H3,(H,30,35)
• InChIKey: JBAHVOFTNABBAN-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.67
LogP ≤ 5	5.44
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 N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?

The IUPAC name of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide (CID 16989724) is N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide.

What is the SMILES notation for N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?

The canonical SMILES for N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide is CCCN(CCC)C(=O)Cn1c(CCCCCNC(=O)c2ccc(C)cc2C)nc2ccccc21.

What is the InChIKey of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?

The InChIKey is JBAHVOFTNABBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-5-18-32(19-6-2)28(34)21-33-26-13-10-9-12-25(26)31-27(33)14-8-7-11-17-30-29(35)24-16-15-22(3)20-23(24)4/h9-10,12-13,15-16,20H,5-8,11,14,17-19,21H2,1-4H3,(H,30,35).

What are the key properties of N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide?

N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide has a molecular weight of 476.67 g/mol, XLogP of 5.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16989724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).