2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

C17H16ClN3O2S — CID 2231589

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c18-12-5-7-13(8-6-12)23-10-9-19-16(22)11-24-17-20-14-3-1-2-4-15(14)21-17/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKeyAMDRYBQHGZWAQS-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.50
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide (PubChem CID 2231589) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
PubChem CID2231589
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c18-12-5-7-13(8-6-12)23-10-9-19-16(22)11-24-17-20-14-3-1-2-4-15(14)21-17/h1-8H,9-11H2,(H,19,22)(H,20,21)
InChIKeyAMDRYBQHGZWAQS-UHFFFAOYSA-N
XLogP3.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide (CID 2231589) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide is O=C(CSc1nc2ccccc2[nH]1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The InChIKey is AMDRYBQHGZWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c18-12-5-7-13(8-6-12)23-10-9-19-16(22)11-24-17-20-14-3-1-2-4-15(14)21-17/h1-8H,9-11H2,(H,19,22)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 2231589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).