2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

C29H32N4O2 — CID 16989568

About 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide

2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989568) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989568
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: Cc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1
• InChI: InChI=1S/C29H32N4O2/c1-22-13-8-9-16-24(22)29(35)30-20-12-4-7-19-27-31-25-17-10-11-18-26(25)33(27)21-28(34)32(2)23-14-5-3-6-15-23/h3,5-6,8-11,13-18H,4,7,12,19-21H2,1-2H3,(H,30,35)
• InChIKey: PAFXIWIICXLZPX-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.15
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-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989568) is 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

What is the SMILES notation for 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The canonical SMILES for 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is Cc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(C)c1ccccc1.

What is the InChIKey of 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The InChIKey is PAFXIWIICXLZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-22-13-8-9-16-24(22)29(35)30-20-12-4-7-19-27-31-25-17-10-11-18-26(25)33(27)21-28(34)32(2)23-14-5-3-6-15-23/h3,5-6,8-11,13-18H,4,7,12,19-21H2,1-2H3,(H,30,35).

What are the key properties of 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).