4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide

C24H20Cl3N3O — CID 16984581

About 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide

4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984581) has the molecular formula C24H20Cl3N3O and a molecular weight of 472.80 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
• PubChem CID: 16984581
• Molecular Formula: C24H20Cl3N3O
• Molecular Weight: 472.80 g/mol
• Exact Mass: 471.07
• IUPAC Name: 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
• SMILES: O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H20Cl3N3O/c25-18-10-7-16(8-11-18)24(31)28-13-3-6-23-29-21-4-1-2-5-22(21)30(23)15-17-9-12-19(26)14-20(17)27/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,28,31)
• InChIKey: XRJYXFJBMGXWBU-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.80
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?

The IUPAC name of 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16984581) is 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

What is the SMILES notation for 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?

The canonical SMILES for 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?

The InChIKey is XRJYXFJBMGXWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O/c25-18-10-7-16(8-11-18)24(31)28-13-3-6-23-29-21-4-1-2-5-22(21)30(23)15-17-9-12-19(26)14-20(17)27/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,28,31).

What are the key properties of 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide?

4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 472.80 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).