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

C18H19N3O2S — CID 1387415

IUPACN-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-2-23-14-8-9-15-16(10-14)21-18(20-15)24-12-17(22)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyZQNPIMUZKYDZLA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.37
Rot. Bonds7

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

N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 1387415) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID1387415
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-2-23-14-8-9-15-16(10-14)21-18(20-15)24-12-17(22)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyZQNPIMUZKYDZLA-UHFFFAOYSA-N
XLogP3.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 1387415) is N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCOc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1.
What is the InChIKey of N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZQNPIMUZKYDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-23-14-8-9-15-16(10-14)21-18(20-15)24-12-17(22)19-11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1387415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).