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

C28H29ClN4O2 — CID 16989892

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

2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989892) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989892
• Molecular Formula: C28H29ClN4O2
• Molecular Weight: 489.02 g/mol
• Exact Mass: 488.20
• IUPAC Name: 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: CN(C(=O)Cn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
• InChI: InChI=1S/C28H29ClN4O2/c1-32(21-12-4-2-5-13-21)27(34)20-33-25-17-10-9-16-24(25)31-26(33)18-6-3-11-19-30-28(35)22-14-7-8-15-23(22)29/h2,4-5,7-10,12-17H,3,6,11,18-20H2,1H3,(H,30,35)
• InChIKey: MMROOQQASBBOAT-UHFFFAOYSA-N
• XLogP: 5.50
• 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	489.02
LogP ≤ 5	5.50
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-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989892) is 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

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

The canonical SMILES for 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is CN(C(=O)Cn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1.

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

The InChIKey is MMROOQQASBBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c1-32(21-12-4-2-5-13-21)27(34)20-33-25-17-10-9-16-24(25)31-26(33)18-6-3-11-19-30-28(35)22-14-7-8-15-23(22)29/h2,4-5,7-10,12-17H,3,6,11,18-20H2,1H3,(H,30,35).

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

2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 489.02 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).