N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

C25H22Cl2N4O2 — CID 5109311

About N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide

N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 5109311) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
• PubChem CID: 5109311
• Molecular Formula: C25H22Cl2N4O2
• Molecular Weight: 481.38 g/mol
• Exact Mass: 480.11
• IUPAC Name: N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C25H22Cl2N4O2/c1-15-7-9-17(10-8-15)25(33)28-16(2)24-30-21-5-3-4-6-22(21)31(24)14-23(32)29-20-12-18(26)11-19(27)13-20/h3-13,16H,14H2,1-2H3,(H,28,33)(H,29,32)
• InChIKey: PQXBLFZUTRXXMS-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.38
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

The IUPAC name of N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 5109311) is N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide.

What is the SMILES notation for N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

The canonical SMILES for N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2nc3ccccc3n2CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.

What is the InChIKey of N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

The InChIKey is PQXBLFZUTRXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c1-15-7-9-17(10-8-15)25(33)28-16(2)24-30-21-5-3-4-6-22(21)31(24)14-23(32)29-20-12-18(26)11-19(27)13-20/h3-13,16H,14H2,1-2H3,(H,28,33)(H,29,32).

What are the key properties of N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide?

N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 481.38 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 5109311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).