2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide

C19H21N3O2S — CID 616694

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H21N3O2S/c1-2-24-15-8-9-16-17(12-15)22-19(21-16)25-13-18(23)20-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyQZOCDRCMASGAMJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.41
Rot. Bonds8

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

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 616694) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID616694
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H21N3O2S/c1-2-24-15-8-9-16-17(12-15)22-19(21-16)25-13-18(23)20-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyQZOCDRCMASGAMJ-UHFFFAOYSA-N
XLogP3.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 24681455
N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 24576550
2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 4752826
N-(benzylcarbamoyl)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 24681484
N-(3-acetylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1205153
2-N',6-N'-bis[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]naphthalene-2,6-dicarbohydrazide
CID 17325057
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40555975
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetic acid
CID 6931602
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324816
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4050197
N'-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 5134152

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CID 616694) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide is CCOc1ccc2nc(SCC(=O)NCCc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is QZOCDRCMASGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-24-15-8-9-16-17(12-15)22-19(21-16)25-13-18(23)20-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 616694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).