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

C29H31ClN4O2 — CID 16989890

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

2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989890) has the molecular formula C29H31ClN4O2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• PubChem CID: 16989890
• Molecular Formula: C29H31ClN4O2
• Molecular Weight: 503.05 g/mol
• Exact Mass: 502.21
• IUPAC Name: 2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
• SMILES: CCN(C(=O)Cn1c(CCCCCNC(=O)c2ccccc2Cl)nc2ccccc21)c1ccccc1
• InChI: InChI=1S/C29H31ClN4O2/c1-2-33(22-13-5-3-6-14-22)28(35)21-34-26-18-11-10-17-25(26)32-27(34)19-7-4-12-20-31-29(36)23-15-8-9-16-24(23)30/h3,5-6,8-11,13-18H,2,4,7,12,19-21H2,1H3,(H,31,36)
• InChIKey: AUFHNBWGUQXXID-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.05
LogP ≤ 5	5.89
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-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide?

The IUPAC name of 2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989890) is 2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide.

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

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

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

The InChIKey is AUFHNBWGUQXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O2/c1-2-33(22-13-5-3-6-14-22)28(35)21-34-26-18-11-10-17-25(26)32-27(34)19-7-4-12-20-31-29(36)23-15-8-9-16-24(23)30/h3,5-6,8-11,13-18H,2,4,7,12,19-21H2,1H3,(H,31,36).

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

2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 503.05 g/mol, XLogP of 5.89, 11 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-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).