2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

C25H22Cl2N4O2 — CID 17031501

About 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 17031501) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 17031501
• Molecular Formula: C25H22Cl2N4O2
• Molecular Weight: 481.38 g/mol
• Exact Mass: 480.11
• IUPAC Name: 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: O=C(Cn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21)Nc1cccc(Cl)c1
• InChI: InChI=1S/C25H22Cl2N4O2/c26-17-7-5-8-18(15-17)29-24(32)16-31-22-12-4-3-11-21(22)30-23(31)13-6-14-28-25(33)19-9-1-2-10-20(19)27/h1-5,7-12,15H,6,13-14,16H2,(H,28,33)(H,29,32)
• InChIKey: KJXYHDZQJZDEDH-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.38
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
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-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 17031501) is 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is O=C(Cn1c(CCCNC(=O)c2ccccc2Cl)nc2ccccc21)Nc1cccc(Cl)c1.

What is the InChIKey of 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is KJXYHDZQJZDEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c26-17-7-5-8-18(15-17)29-24(32)16-31-22-12-4-3-11-21(22)30-23(31)13-6-14-28-25(33)19-9-1-2-10-20(19)27/h1-5,7-12,15H,6,13-14,16H2,(H,28,33)(H,29,32).

What are the key properties of 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?

2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 481.38 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 17031501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).