2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

C19H21N3O3S — CID 1400028

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NCc3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C19H21N3O3S/c1-3-25-15-8-9-16-17(10-15)22-19(21-16)26-12-18(23)20-11-13-4-6-14(24-2)7-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyORSJBPLYMGCNJB-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.38
Rot. Bonds8

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 1400028) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID1400028
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NCc3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C19H21N3O3S/c1-3-25-15-8-9-16-17(10-15)22-19(21-16)26-12-18(23)20-11-13-4-6-14(24-2)7-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyORSJBPLYMGCNJB-UHFFFAOYSA-N
XLogP3.38
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 1400028) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is CCOc1ccc2nc(SCC(=O)NCc3ccc(OC)cc3)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ORSJBPLYMGCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-25-15-8-9-16-17(10-15)22-19(21-16)26-12-18(23)20-11-13-4-6-14(24-2)7-5-13/h4-10H,3,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1400028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).