N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide

C₁₄H₁₈ClN₃O₃ — CID 139451757

About N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide

N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide (PubChem CID 139451757) has the molecular formula C₁₄H₁₈ClN₃O₃ and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
• PubChem CID: 139451757
• Molecular Formula: C₁₄H₁₈ClN₃O₃
• Molecular Weight: 311.77 g/mol
• Exact Mass: 311.10
• IUPAC Name: N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
• SMILES: CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O
• InChI: InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)
• InChIKey: LRRDNGSYVNSAEO-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.77
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?

The IUPAC name of N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide (CID 139451757) is N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide.

What is the SMILES notation for N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?

The canonical SMILES for N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide is CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O.

What is the InChIKey of N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?

The InChIKey is LRRDNGSYVNSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19).

What are the key properties of N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide?

N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 311.77 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 139451757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139451757 — identifiers, structure, computed properties (public domain)

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