2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide

C18H19N3O3S — CID 2772680

IUPAC2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccccc1OCCSc1nc2ccccc2n1CC(N)=O
InChIInChI=1S/C18H19N3O3S/c1-23-15-8-4-5-9-16(15)24-10-11-25-18-20-13-6-2-3-7-14(13)21(18)12-17(19)22/h2-9H,10-12H2,1H3,(H2,19,22)
InChIKeyMZMWQPOICKRIND-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.70
Rot. Bonds8

About 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide

2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide (PubChem CID 2772680) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide
PubChem CID2772680
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccccc1OCCSc1nc2ccccc2n1CC(N)=O
InChIInChI=1S/C18H19N3O3S/c1-23-15-8-4-5-9-16(15)24-10-11-25-18-20-13-6-2-3-7-14(13)21(18)12-17(19)22/h2-9H,10-12H2,1H3,(H2,19,22)
InChIKeyMZMWQPOICKRIND-UHFFFAOYSA-N
XLogP2.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide (CID 2772680) is 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide is COc1ccccc1OCCSc1nc2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide?
The InChIKey is MZMWQPOICKRIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-15-8-4-5-9-16(15)24-10-11-25-18-20-13-6-2-3-7-14(13)21(18)12-17(19)22/h2-9H,10-12H2,1H3,(H2,19,22).
What are the key properties of 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide?
2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 2772680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).