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

C11H13N3OS — CID 121222107

IUPACN-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSn1cnc2ccccc21
InChIInChI=1S/C11H13N3OS/c1-9(15)12-6-7-16-14-8-13-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,12,15)
InChIKeyQDGSBJXGLDXNIG-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.67
Rot. Bonds4

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

N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide (PubChem CID 121222107) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
PubChem CID121222107
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSn1cnc2ccccc21
InChIInChI=1S/C11H13N3OS/c1-9(15)12-6-7-16-14-8-13-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,12,15)
InChIKeyQDGSBJXGLDXNIG-UHFFFAOYSA-N
XLogP1.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzimidazol-1-ylsulfanyl)butan-1-ol
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1-benzylsulfanylbenzimidazole
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N-(benzimidazol-1-yl)acetamide
CID 2318657
N-[2-(1,3-dioxoisoindol-2-yl)sulfanylethyl]acetamide
CID 555050
1-prop-2-enylsulfanylbenzimidazole
CID 67218633
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
2-(benzimidazol-1-yl)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]propanamide
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N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-acetamido-3-(benzimidazol-1-yl)propanoic acid
CID 64583290

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide (CID 121222107) is N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide is CC(=O)NCCSn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?
The InChIKey is QDGSBJXGLDXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-9(15)12-6-7-16-14-8-13-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3,(H,12,15).
What are the key properties of N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide?
N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide has a molecular weight of 235.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 121222107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).